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

Systemtic Name: ethyl (6aR,11aS)-9-methoxy-5-oxidanylidene-6-(phenylmethyl)-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate Openeye Name: ethyl (6aR,11aS)-6-benzyl-9-methoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate CAS Name: (6aR,11aS)-9-methoxy-5-oxo-6-(phenylmethyl)-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester IUPAC Name: ethyl (6aR,11aS)-6-benzyl-9-methoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate Traditional Name: (6aR,11aS)-6-benzyl-5-keto-9-methoxy-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4/c1-3-32-26(30)27-16-19-15-20(31-2)13-14-21(19)24(27)28(17-18-9-5-4-6-10-18)25(29)22-11-7-8-12-23(22)27/h4-15,24H,3,16-17H2,1-2H3/t24-,27+/m1/s1