2-[2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(3,5-dimethylanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-13-7-14(2)9-16(8-13)23-22(27)24-6-5-15-10-19(28-3)20(29-4)11-17(15)18(24)12-21(25)26/h7-11,18H,5-6,12H2,1-4H3,(H,23,27)(H,25,26)