2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O)Cl)OC

InChI

InChI=1S/C20H21ClN2O5/c1-27-17-11-18(28-2)15(9-14(17)21)22-20(26)23-8-7-12-5-3-4-6-13(12)16(23)10-19(24)25/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,22,26)(H,24,25)