methyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 3-[[1-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid methyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C25H24N2O3/c1-17-10-12-19(13-11-17)23-22-9-4-3-6-18(22)14-15-27(23)25(29)26-21-8-5-7-20(16-21)24(28)30-2/h3-13,16,23H,14-15H2,1-2H3,(H,26,29)