4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)-3-pyridin-4-yl-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)-3-pyridin-4-yl-propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]-2-(4-pyridyl)ethyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]-3-pyridin-4-ylpropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)-3-pyridin-4-ylpropan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)-2-(4-pyridyl)ethyl]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=NC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=NC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C26H27N3O3/c27-25(30)24(18-8-10-20(11-9-18)26(31)32)23(19-12-14-28-15-13-19)21-6-2-3-7-22(21)29-16-4-1-5-17-29/h2-3,6-15,23-24H,1,4-5,16-17H2,(H2,27,30)(H,31,32)