2-[[4-(2-naphthalen-1-ylpropanoylamino)pyridin-3-yl]methyl]benzoic acid hydrochloride

Systemtic Name: 2-[[4-(2-naphthalen-1-ylpropanoylamino)pyridin-3-yl]methyl]benzoic acid hydrochloride Openeye Name: 2-[[4-[2-(1-naphthyl)propanoylamino]-3-pyridyl]methyl]benzoic acid hydrochloride CAS Name: 2-[[4-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-3-pyridinyl]methyl]benzoic acid hydrochloride IUPAC Name: 2-[[4-(2-naphthalen-1-ylpropanoylamino)pyridin-3-yl]methyl]benzoic acid hydrochloride Traditional Name: 2-[[4-[2-(1-naphthyl)propanoylamino]-3-pyridyl]methyl]benzoic acid hydrochloride Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=NC=C3)CC4=CC=CC=C4C(=O)O.Cl

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=NC=C3)CC4=CC=CC=C4C(=O)O.Cl

InChI

InChI=1S/C26H22N2O3.ClH/c1-17(21-12-6-9-18-7-2-4-10-22(18)21)25(29)28-24-13-14-27-16-20(24)15-19-8-3-5-11-23(19)26(30)31;/h2-14,16-17H,15H2,1H3,(H,30,31)(H,27,28,29);1H