[4-[4-[2-oxidanylidene-2-[(8S,10S,13S)-10,13,16-trimethyl-3-oxidanylidene-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidin-5-yl] benzoate

Systemtic Name: [4-[4-[2-oxidanylidene-2-[(8S,10S,13S)-10,13,16-trimethyl-3-oxidanylidene-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidin-5-yl] benzoate Openeye Name: [4-[4-[2-oxo-2-[(8S,10S,13S)-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidin-5-yl] benzoate CAS Name: benzoic acid [4-[4-[2-oxo-2-[(8S,10S,13S)-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)-5-pyrimidinyl] ester IUPAC Name: [4-[4-[2-oxo-2-[(8S,10S,13S)-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidin-5-yl] benzoate Traditional Name: benzoic acid [4-[4-[2-keto-2-[(8S,10S,13S)-3-keto-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]piperazino]-2,6-dipyrrolidino-pyrimidin-5-yl] ester Formula: C45H56N6O4 MolecularWeight: 744.96394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6OC(=O)C7=CC=CC=C7)N8CCCC8)N9CCCC9)C)C

Isomeric SMILES

CC1CC2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6OC(=O)C7=CC=CC=C7)N8CCCC8)N9CCCC9)C)C

InChI

InChI=1S/C45H56N6O4/c1-30-27-36-34-14-13-32-28-33(52)15-17-44(32,2)35(34)16-18-45(36,3)38(30)37(53)29-48-23-25-50(26-24-48)41-39(55-42(54)31-11-5-4-6-12-31)40(49-19-7-8-20-49)46-43(47-41)51-21-9-10-22-51/h4-6,11-12,15-17,28,30,34,36,38H,7-10,13-14,18-27,29H2,1-3H3/t30?,34-,36?,38?,44+,45+/m1/s1