(phenylmethyl) 3-[(2,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(2,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(2,5-dimethylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(2,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-18-12-13-19(2)23(14-18)27-25(29)24-15-21-10-6-7-11-22(21)16-28(24)26(30)31-17-20-8-4-3-5-9-20/h3-14,24H,15-17H2,1-2H3,(H,27,29)