ethyl 1-[[3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1H-indol-3-yl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H33N3O5/c1-3-37-29(35)19-12-14-31(15-13-19)28(34)25-21-9-4-5-10-22(21)27(33)32(16-17-36-2)26(25)23-18-30-24-11-7-6-8-20(23)24/h4-11,18-19,25-26,30H,3,12-17H2,1-2H3