4-[(1S)-1-[(5-chloranyl-2-phenoxy-pyridin-3-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[(1S)-1-[(5-chloranyl-2-phenoxy-pyridin-3-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[(1S)-1-[(5-chloro-2-phenoxy-pyridine-3-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[(1S)-1-[[(5-chloro-2-phenoxy-3-pyridinyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[(1S)-1-[(5-chloro-2-phenoxy-nicotinoyl)amino]ethyl]benzoic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC=CC=C3)Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2O4/c1-13(14-7-9-15(10-8-14)21(26)27)24-19(25)18-11-16(22)12-23-20(18)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,24,25)(H,26,27)/t13-/m0/s1