[3-[2-(1H-indol-3-yl)ethanoylhydrazinylidene]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate

Systemtic Name: [3-[2-(1H-indol-3-yl)ethanoylhydrazinylidene]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate Openeye Name: [3-[[2-(1H-indol-3-yl)acetyl]hydrazono]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate CAS Name: benzoic acid [3-[[2-(1H-indol-3-yl)-1-oxoethyl]hydrazinylidene]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [3-[[2-(1H-indol-3-yl)acetyl]hydrazinylidene]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate Traditional Name: benzoic acid [3-[[2-(1H-indol-3-yl)acetyl]hydrazono]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C36H43N3O3 MolecularWeight: 565.74492

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=NNC(=O)CC3=CNC4=CC=CC=C43)CC1CCC5C2CCC6(C5CCC6OC(=O)C7=CC=CC=C7)C

Isomeric SMILES

CC12CCC(=NNC(=O)CC3=CNC4=CC=CC=C43)CC1CCC5C2CCC6(C5CCC6OC(=O)C7=CC=CC=C7)C

InChI

InChI=1S/C36H43N3O3/c1-35-18-16-26(38-39-33(40)20-24-22-37-31-11-7-6-10-27(24)31)21-25(35)12-13-28-29-14-15-32(36(29,2)19-17-30(28)35)42-34(41)23-8-4-3-5-9-23/h3-11,22,25,28-30,32,37H,12-21H2,1-2H3,(H,39,40)