4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-keto-ethyl]phenyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19N3O3/c25-20(22-19-12-18(23-24-19)16-7-8-16)11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)21(26)27/h1-6,9-10,12,16H,7-8,11H2,(H,26,27)(H2,22,23,24,25)