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

Systemtic Name: 2-[2-[(2-chloranyl-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-chloro-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(2-chloro-4-methylanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(2-chloro-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C21H23ClN2O5 MolecularWeight: 418.87072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC)Cl

InChI

InChI=1S/C21H23ClN2O5/c1-12-4-5-16(15(22)8-12)23-21(27)24-7-6-13-9-18(28-2)19(29-3)10-14(13)17(24)11-20(25)26/h4-5,8-10,17H,6-7,11H2,1-3H3,(H,23,27)(H,25,26)