2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(5-chloro-2-methoxyanilino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C23H27ClN2O6 MolecularWeight: 462.92328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(C=CC(=C3)Cl)OC)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(C=CC(=C3)Cl)OC)CC(=O)O)OCC

InChI

InChI=1S/C23H27ClN2O6/c1-4-31-20-10-14-8-9-26(18(13-22(27)28)16(14)12-21(20)32-5-2)23(29)25-17-11-15(24)6-7-19(17)30-3/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3,(H,25,29)(H,27,28)