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

Systemtic Name: (phenylmethyl) 3-[(4-iodophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[(4-iodophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(4-iodoanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-iodophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(4-iodophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C24H21IN2O3 MolecularWeight: 512.33961

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C24H21IN2O3/c25-20-10-12-21(13-11-20)26-23(28)22-14-18-8-4-5-9-19(18)15-27(22)24(29)30-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,26,28)