methyl 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate

Systemtic Name: methyl 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate Openeye Name: methyl 3-(aminomethyl)-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carboxylate CAS Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylate Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carboxylic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)OC)CC(C)C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)OC)CC(C)C)CN

InChI

InChI=1S/C23H26N2O3/c1-14(2)13-25-20(12-24)21(16-7-5-15(3)6-8-16)19-11-17(23(27)28-4)9-10-18(19)22(25)26/h5-11,14H,12-13,24H2,1-4H3