[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C23H24N2O4/c1-3-12-25(14-17-10-8-16(2)9-11-17)21(26)15-29-23(28)20-13-18-6-4-5-7-19(18)22(27)24-20/h4-11,13H,3,12,14-15H2,1-2H3,(H,24,27)