ethyl 2-[4-[ethyl-(phenylmethyl)amino]butyl]-5,6-dimethoxy-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: ethyl 2-[4-[ethyl-(phenylmethyl)amino]butyl]-5,6-dimethoxy-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: ethyl 2-[4-[benzyl(ethyl)amino]butyl]-5,6-dimethoxy-1-oxo-indane-2-carboxylate CAS Name: 2-[4-[ethyl-(phenylmethyl)amino]butyl]-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[benzyl(ethyl)amino]butyl]-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylate Traditional Name: 2-[4-[benzyl(ethyl)amino]butyl]-1-keto-5,6-dimethoxy-indane-2-carboxylic acid ethyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC1(CC2=CC(=C(C=C2C1=O)OC)OC)C(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCN(CCCCC1(CC2=CC(=C(C=C2C1=O)OC)OC)C(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C27H35NO5/c1-5-28(19-20-12-8-7-9-13-20)15-11-10-14-27(26(30)33-6-2)18-21-16-23(31-3)24(32-4)17-22(21)25(27)29/h7-9,12-13,16-17H,5-6,10-11,14-15,18-19H2,1-4H3