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

Systemtic Name: (phenylmethyl) 3-[(4-iodanyl-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(4-iodo-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(4-iodo-2-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-iodo-2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(4-iodo-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H23IN2O3 MolecularWeight: 526.36619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23IN2O3/c1-17-13-21(26)11-12-22(17)27-24(29)23-14-19-9-5-6-10-20(19)15-28(23)25(30)31-16-18-7-3-2-4-8-18/h2-13,23H,14-16H2,1H3,(H,27,29)