ethyl (6aR,11aS)-9-methyl-5-oxidanylidene-6-(phenylmethyl)-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate

Systemtic Name: ethyl (6aR,11aS)-9-methyl-5-oxidanylidene-6-(phenylmethyl)-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate Openeye Name: ethyl (6aR,11aS)-6-benzyl-9-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate CAS Name: (6aR,11aS)-9-methyl-5-oxo-6-(phenylmethyl)-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester IUPAC Name: ethyl (6aR,11aS)-6-benzyl-9-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate Traditional Name: (6aR,11aS)-6-benzyl-5-keto-9-methyl-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC3=C(C1N(C(=O)C4=CC=CC=C24)CC5=CC=CC=C5)C=CC(=C3)C

Isomeric SMILES

CCOC(=O)[C@]12CC3=C([C@H]1N(C(=O)C4=CC=CC=C24)CC5=CC=CC=C5)C=CC(=C3)C

InChI

InChI=1S/C27H25NO3/c1-3-31-26(30)27-16-20-15-18(2)13-14-21(20)24(27)28(17-19-9-5-4-6-10-19)25(29)22-11-7-8-12-23(22)27/h4-15,24H,3,16-17H2,1-2H3/t24-,27+/m1/s1