4-[[2-[2-(3-azanyl-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-(3-azanyl-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-(5-amino-4-cyano-1-phenyl-2-pyrazolin-3-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C(=N2)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C#N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(C(C(=N2)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C#N)C#N)N

InChI

InChI=1S/C27H21N5O3/c28-15-21(25-23(16-29)26(30)32(31-25)22-7-2-1-3-8-22)14-20-6-4-5-9-24(20)35-17-18-10-12-19(13-11-18)27(33)34/h1-14,23,26H,17,30H2,(H,33,34)