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

Systemtic Name: ethyl 1-[[2-cyclopropyl-3-(3-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-cyclopropyl-1-keto-3-(3-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H32N2O5/c1-3-35-28(33)19-9-7-15-29(17-19)27(32)24-22-11-4-5-12-23(22)26(31)30(20-13-14-20)25(24)18-8-6-10-21(16-18)34-2/h4-6,8,10-12,16,19-20,24-25H,3,7,9,13-15,17H2,1-2H3