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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)NCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

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