4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]benzoic acid Openeye Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]benzoic acid CAS Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzoic acid Traditional Name: 4-[2-(1,3-diketo-7-methoxy-4,4-dimethyl-2-isoquinolyl)ethyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO5/c1-21(2)17-9-8-15(27-3)12-16(17)18(23)22(20(21)26)11-10-13-4-6-14(7-5-13)19(24)25/h4-9,12H,10-11H2,1-3H3,(H,24,25)