4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)ethanoyl]benzoic acid

Systemtic Name: 4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)ethanoyl]benzoic acid Openeye Name: 4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetyl]benzoic acid CAS Name: 4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-1-oxoethyl]benzoic acid IUPAC Name: 4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetyl]benzoic acid Traditional Name: 4-[(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetyl]benzoic acid Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=CC(=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C31

Isomeric SMILES

C1CN/C(=C\C(=O)C2=CC=C(C=C2)C(=O)O)/C3=CC=CC=C31

InChI

InChI=1S/C18H15NO3/c20-17(13-5-7-14(8-6-13)18(21)22)11-16-15-4-2-1-3-12(15)9-10-19-16/h1-8,11,19H,9-10H2,(H,21,22)/b16-11-