ethyl 1-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H38N2O5/c1-3-38-31(36)22-17-19-32(20-18-22)30(35)27-25-11-7-8-12-26(25)29(34)33(23-9-5-4-6-10-23)28(27)21-13-15-24(37-2)16-14-21/h7-8,11-16,22-23,27-28H,3-6,9-10,17-20H2,1-2H3