methyl 2-[(4-butylphenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-butylphenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-butylbenzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butylbenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(4-butylbenzoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-3-4-7-15-10-12-16(13-11-15)20(25)23-24-14-19(22(27)28-2)17-8-5-6-9-18(17)21(24)26/h5-6,8-14H,3-4,7H2,1-2H3,(H,23,25)