3-[[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]methyl]benzoic acid Openeye Name: 3-[[5-(azepan-1-yl)-2-oxo-1-pyridyl]methyl]benzoic acid CAS Name: 3-[[5-(1-azepanyl)-2-oxo-1-pyridinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(azepan-1-yl)-2-oxopyridin-1-yl]methyl]benzoic acid Traditional Name: 3-[[5-(azepan-1-yl)-2-keto-1-pyridyl]methyl]benzoic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O3/c22-18-9-8-17(20-10-3-1-2-4-11-20)14-21(18)13-15-6-5-7-16(12-15)19(23)24/h5-9,12,14H,1-4,10-11,13H2,(H,23,24)