2-[[4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[[3-butyl-5-(3-pyridyl)-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[3-butyl-5-(3-pyridinyl)-1,2,4-triazol-4-yl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[3-butyl-5-(3-pyridyl)-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5O3/c1-2-3-10-23-29-30-24(19-7-6-15-27-16-19)31(23)17-18-11-13-20(14-12-18)28-25(32)21-8-4-5-9-22(21)26(33)34/h4-9,11-16H,2-3,10,17H2,1H3,(H,28,32)(H,33,34)