ethyl 5,6-dimethoxy-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-1H-indene-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-1H-indene-2-carboxylate Openeye Name: ethyl 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-1-oxo-indane-2-carboxylate CAS Name: 5,6-dimethoxy-3-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-indene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylate Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-1-keto-5,6-dimethoxy-indane-2-carboxylic acid ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=CC(=C(C=C2C1=O)OC)OC)CC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC2=CC(=C(C=C2C1=O)OC)OC)CC3CCN(CC3)CC4=CC=CC=C4

InChI

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