ethyl 3-[[4-[(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzoate

Systemtic Name: ethyl 3-[[4-[(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzoate Openeye Name: ethyl 3-[[4-[(5,6-dimethoxy-1-oxo-indan-2-yl)methyl]-1-piperidyl]methyl]benzoate CAS Name: 3-[[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]-1-piperidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(1-keto-5,6-dimethoxy-indan-2-yl)methyl]piperidino]methyl]benzoic acid ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2CCC(CC2)CC3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2CCC(CC2)CC3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H33NO5/c1-4-33-27(30)20-7-5-6-19(13-20)17-28-10-8-18(9-11-28)12-22-14-21-15-24(31-2)25(32-3)16-23(21)26(22)29/h5-7,13,15-16,18,22H,4,8-12,14,17H2,1-3H3