N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethenyl]benzamide

Systemtic Name: N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethenyl]benzamide Openeye Name: N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]vinyl]benzamide CAS Name: N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethenyl]benzamide IUPAC Name: N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethenyl]benzamide Traditional Name: N-[2-[2-(2-benzamidoethoxy)ethoxy]ethyl]-4-[(E)-2-[(13S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]vinyl]benzamide Formula: C40H48N2O6 MolecularWeight: 652.81892

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C=CC4=CC=C(C=C4)C(=O)NCCOCCOCCNC(=O)C5=CC=CC=C5)O)CCC6=C3C=CC(=C6)O

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(/C=C/C4=CC=C(C=C4)C(=O)NCCOCCOCCNC(=O)C5=CC=CC=C5)O)CCC6=C3C=CC(=C6)O

InChI

InChI=1S/C40H48N2O6/c1-39-18-16-34-33-14-12-32(43)27-31(33)11-13-35(34)36(39)17-20-40(39,46)19-15-28-7-9-30(10-8-28)38(45)42-22-24-48-26-25-47-23-21-41-37(44)29-5-3-2-4-6-29/h2-10,12,14-15,19,27,34-36,43,46H,11,13,16-18,20-26H2,1H3,(H,41,44)(H,42,45)/b19-15+/t34?,35?,36?,39-,40-/m0/s1