(phenylmethyl) 3-[(4-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(4-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-(p-tolylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(4-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(p-tolylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c1-18-11-13-22(14-12-18)26-24(28)23-15-20-9-5-6-10-21(20)16-27(23)25(29)30-17-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3,(H,26,28)