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

Systemtic Name: ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-4-33-26(31)18-13-15-28(16-14-18)25(30)22-20-7-5-6-8-21(20)24(29)27(2)23(22)17-9-11-19(32-3)12-10-17/h5-12,18,22-23H,4,13-16H2,1-3H3