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

Systemtic Name: 3-(4-chlorophenyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-[(1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]propionic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CC(N1)C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2CC(N1)C(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C21H23ClN2O3/c1-21(2)16-6-4-3-5-14(16)12-17(24-21)19(25)23-18(20(26)27)11-13-7-9-15(22)10-8-13/h3-10,17-18,24H,11-12H2,1-2H3,(H,23,25)(H,26,27)