3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)propanoic acid

Systemtic Name: 3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)propanoic acid Openeye Name: 3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)propanoic acid CAS Name: 3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)propanoic acid IUPAC Name: 3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)propanoic acid Traditional Name: 3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)propionic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CCC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CCC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21NO3/c1-13-11-16-17(12-14(13)2)21(25)22(3)18(9-10-19(23)24)20(16)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,23,24)