methyl 1-(4-methylphenyl)-4-(phenylcarbonyloxy)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-4-(phenylcarbonyloxy)isoquinoline-3-carboxylate Openeye Name: methyl 4-benzoyloxy-1-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 4-benzoyloxy-1-(4-methylphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoyloxy-1-(4-methylphenyl)isoquinoline-3-carboxylate Traditional Name: 4-benzoyloxy-1-(p-tolyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H19NO4 MolecularWeight: 397.42266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)OC(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)OC(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H19NO4/c1-16-12-14-17(15-13-16)21-19-10-6-7-11-20(19)23(22(26-21)25(28)29-2)30-24(27)18-8-4-3-5-9-18/h3-15H,1-2H3