3-(4-chlorophenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propionic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CN1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H21ClN2O3/c1-23-12-15-5-3-2-4-14(15)11-18(23)19(24)22-17(20(25)26)10-13-6-8-16(21)9-7-13/h2-9,17-18H,10-12H2,1H3,(H,22,24)(H,25,26)