4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzoic acid

Systemtic Name: 4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzoic acid Openeye Name: 4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoic acid CAS Name: 4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-oxoethyl]benzoic acid IUPAC Name: 4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoic acid Traditional Name: 4-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)C(=O)O)N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)C(=O)O)/N1)C

InChI

InChI=1S/C20H19NO3/c1-20(2)12-15-5-3-4-6-16(15)17(21-20)11-18(22)13-7-9-14(10-8-13)19(23)24/h3-11,21H,12H2,1-2H3,(H,23,24)/b17-11-