ethyl 4-[5-[2-(3-methoxyphenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-(3-methoxyphenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(3-methoxyphenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(3-methoxyphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-[[2-(3-methoxyphenyl)acetyl]amino]-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29N3O5/c1-3-34-26(32)28-13-10-19(11-14-28)29-15-12-21-22(25(29)31)8-5-9-23(21)27-24(30)17-18-6-4-7-20(16-18)33-2/h4-9,12,15-16,19H,3,10-11,13-14,17H2,1-2H3,(H,27,30)