2-diethylaminoethyl 4-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonylamino]benzoate CAS Name: 4-[[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonylamino]benzoate Traditional Name: 4-[[(3S,8R,9S,10R,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxycarbonylamino]benzoic acid 2-diethylaminoethyl ester Formula: C33H46N2O5 MolecularWeight: 550.72874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5=O)C)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC5=O)C)C

InChI

InChI=1S/C33H46N2O5/c1-5-35(6-2)19-20-39-30(37)22-7-10-24(11-8-22)34-31(38)40-25-15-17-32(3)23(21-25)9-12-26-27-13-14-29(36)33(27,4)18-16-28(26)32/h7-11,25-28H,5-6,12-21H2,1-4H3,(H,34,38)/t25-,26-,27-,28-,32-,33-/m0/s1