[(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-ethanoyl-10-methyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]phenyl]methylideneamino] N-ethylcarbamate

Systemtic Name: [(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-ethanoyl-10-methyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]phenyl]methylideneamino] N-ethylcarbamate Openeye Name: [(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-acetyl-10-methyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]phenyl]methyleneamino] N-ethylcarbamate CAS Name: N-ethylcarbamic acid [(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-acetyl-10-methyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-acetyl-10-methyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]phenyl]methylideneamino] N-ethylcarbamate Traditional Name: N-ethylcarbamic acid [(E)-[4-[3-[(8S,9R,10S,13S,14S,17S)-17-acetyl-3-keto-10-methyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]propyl]benzylidene]amino] ester Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)ON=CC1=CC=C(C=C1)CCCC23CCC4C(C2CCC3C(=O)C)C=CC5=CC(=O)CCC45C

Isomeric SMILES

CCNC(=O)O/N=C/C1=CC=C(C=C1)CCC[C@]23CC[C@@H]4[C@H]([C@@H]2CC[C@@H]3C(=O)C)C=CC5=CC(=O)CC[C@@]45C

InChI

InChI=1S/C33H42N2O4/c1-4-34-31(38)39-35-21-24-9-7-23(8-10-24)6-5-17-33-19-16-29-27(30(33)14-13-28(33)22(2)36)12-11-25-20-26(37)15-18-32(25,29)3/h7-12,20-21,27-30H,4-6,13-19H2,1-3H3,(H,34,38)/b35-21+/t27-,28-,29-,30+,32-,33-/m1/s1