tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1-[(phenylmethyl)carbamoyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate

Systemtic Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1-[(phenylmethyl)carbamoyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate Openeye Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-(benzylcarbamoyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate CAS Name: (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-(benzylcarbamoyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate Traditional Name: (1S,3aS,3bS,9aR,9bS,11aS)-1-(benzylcarbamoyl)-7-keto-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylic acid tert-butyl ester Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)NCC4=CC=CC=C4)CN(C5=CC(=O)CCC35C)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=CC=CC=C4)CN(C5=CC(=O)CC[C@]35C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H42N2O4/c1-29(2,3)37-28(36)33-19-22-23-11-12-25(27(35)32-18-20-9-7-6-8-10-20)30(23,4)16-14-24(22)31(5)15-13-21(34)17-26(31)33/h6-10,17,22-25H,11-16,18-19H2,1-5H3,(H,32,35)/t22-,23-,24-,25+,30-,31+/m0/s1