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

Systemtic Name: methyl 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxylate Openeye Name: methyl 3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carboxylate CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxylate Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carboxylic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H24N2O3/c1-14(2)13-24-19(12-23)20(15-7-5-4-6-8-15)18-11-16(22(26)27-3)9-10-17(18)21(24)25/h4-11,14H,12-13,23H2,1-3H3