[5-(1-benzamidocyclohexyl)pyridin-2-yl] benzoate hydrochloride

Systemtic Name: [5-(1-benzamidocyclohexyl)pyridin-2-yl] benzoate hydrochloride Openeye Name: [5-(1-benzamidocyclohexyl)-2-pyridyl] benzoate hydrochloride CAS Name: benzoic acid [5-(1-benzamidocyclohexyl)-2-pyridinyl] ester hydrochloride IUPAC Name: [5-(1-benzamidocyclohexyl)pyridin-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [5-(1-benzamidocyclohexyl)-2-pyridyl] ester hydrochloride Formula: C25H25ClN2O3 MolecularWeight: 436.9306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CN=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCC(CC1)(C2=CN=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H24N2O3.ClH/c28-23(19-10-4-1-5-11-19)27-25(16-8-3-9-17-25)21-14-15-22(26-18-21)30-24(29)20-12-6-2-7-13-20;/h1-2,4-7,10-15,18H,3,8-9,16-17H2,(H,27,28);1H