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

Systemtic Name: ethyl 1-[[2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C32H33FN2O5 MolecularWeight: 544.613223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H33FN2O5/c1-3-40-32(38)23-16-18-34(19-17-23)31(37)28-26-6-4-5-7-27(26)30(36)35(20-21-8-12-24(33)13-9-21)29(28)22-10-14-25(39-2)15-11-22/h4-15,23,28-29H,3,16-20H2,1-2H3