2-[2-[(2-bromophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(2-bromoanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=CC=C3Br)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=CC=C3Br)CC(=O)O)OC

InChI

InChI=1S/C20H21BrN2O5/c1-27-17-9-12-7-8-23(20(26)22-15-6-4-3-5-14(15)21)16(11-19(24)25)13(12)10-18(17)28-2/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,26)(H,24,25)