methyl (3aR,6R,7aS)-6-morpholin-4-yl-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylate

Systemtic Name: methyl (3aR,6R,7aS)-6-morpholin-4-yl-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylate Openeye Name: methyl (3aR,6R,7aS)-6-morpholino-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylate CAS Name: (3aR,6R,7aS)-6-(4-morpholinyl)-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6R,7aS)-6-morpholin-4-yl-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylate Traditional Name: (3aR,6R,7aS)-6-morpholino-1,2-diphenyl-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(=C(C1CC(C=C2)N3CCOCC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@]12CC(=C([C@@H]1C[C@H](C=C2)N3CCOCC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO3/c1-30-26(29)27-13-12-22(28-14-16-31-17-15-28)18-24(27)25(21-10-6-3-7-11-21)23(19-27)20-8-4-2-5-9-20/h2-13,22,24H,14-19H2,1H3/t22-,24-,27-/m0/s1