methyl (8R,12S)-9,9-dimethyl-11-oxidanylidene-12-phenyl-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate

Systemtic Name: methyl (8R,12S)-9,9-dimethyl-11-oxidanylidene-12-phenyl-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate Openeye Name: methyl (8R,12S)-9,9-dimethyl-11-oxo-12-phenyl-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate CAS Name: (8R,12S)-9,9-dimethyl-11-oxo-12-phenyl-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylic acid methyl ester IUPAC Name: methyl (8R,12S)-9,9-dimethyl-11-oxo-12-phenyl-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate Traditional Name: (8R,12S)-11-keto-9,9-dimethyl-12-phenyl-7,8,10,12-tetrahydrobenz[a]acridine-8-carboxylic acid methyl ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1C(=O)OC)NC3=C(C2C4=CC=CC=C4)C5=CC=CC=C5C=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C([C@@H]1C(=O)OC)NC3=C([C@@H]2C4=CC=CC=C4)C5=CC=CC=C5C=C3)C

InChI

InChI=1S/C27H25NO3/c1-27(2)15-20(29)23-21(17-10-5-4-6-11-17)22-18-12-8-7-9-16(18)13-14-19(22)28-25(23)24(27)26(30)31-3/h4-14,21,24,28H,15H2,1-3H3/t21-,24+/m0/s1