[cyclopenta-2,4-dien-1-yl(quinolin-2-yl)methyl] benzoate

Systemtic Name: [cyclopenta-2,4-dien-1-yl(quinolin-2-yl)methyl] benzoate Openeye Name: [cyclopenta-2,4-dien-1-yl(2-quinolyl)methyl] benzoate CAS Name: benzoic acid [1-cyclopenta-2,4-dienyl(2-quinolinyl)methyl] ester IUPAC Name: [cyclopenta-2,4-dien-1-yl(quinolin-2-yl)methyl] benzoate Traditional Name: benzoic acid [cyclopenta-2,4-dien-1-yl(2-quinolyl)methyl] ester Formula: C22H16NO2- MolecularWeight: 326.36794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC([C-]2C=CC=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC([C-]2C=CC=C2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H16NO2/c24-22(18-11-2-1-3-12-18)25-21(17-9-4-5-10-17)20-15-14-16-8-6-7-13-19(16)23-20/h1-15,21H/q-1