2-[2-oxidanylidene-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]benzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]benzoic acid Openeye Name: 2-[2-oxo-2-[(1-pyrimidin-2-yl-4-piperidyl)amino]ethyl]benzoic acid CAS Name: 2-[2-oxo-2-[[1-(2-pyrimidinyl)-4-piperidinyl]amino]ethyl]benzoic acid IUPAC Name: 2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]benzoic acid Traditional Name: 2-[2-keto-2-[[1-(2-pyrimidyl)-4-piperidyl]amino]ethyl]benzoic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CC2=CC=CC=C2C(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1NC(=O)CC2=CC=CC=C2C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C18H20N4O3/c23-16(12-13-4-1-2-5-15(13)17(24)25)21-14-6-10-22(11-7-14)18-19-8-3-9-20-18/h1-5,8-9,14H,6-7,10-12H2,(H,21,23)(H,24,25)