3-methylbutyl 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 3-methylbutyl 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: isopentyl 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxylic acid isoamyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO4/c1-15(2)12-13-27-22(25)20-14-23(16-8-10-17(26-3)11-9-16)21(24)19-7-5-4-6-18(19)20/h4-11,14-15H,12-13H2,1-3H3