4-[6-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methoxy]-1-oxidanylidene-2,3-dihydroinden-5-yl]benzoic acid

Systemtic Name: 4-[6-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methoxy]-1-oxidanylidene-2,3-dihydroinden-5-yl]benzoic acid Openeye Name: 4-[6-[(5-methyl-2-phenyl-triazol-4-yl)methoxy]-1-oxo-indan-5-yl]benzoic acid CAS Name: 4-[6-[(5-methyl-2-phenyl-4-triazolyl)methoxy]-1-oxo-2,3-dihydroinden-5-yl]benzoic acid IUPAC Name: 4-[6-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-1-oxo-2,3-dihydroinden-5-yl]benzoic acid Traditional Name: 4-[1-keto-6-[(5-methyl-2-phenyl-triazol-4-yl)methoxy]indan-5-yl]benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1COC2=CC3=C(CCC3=O)C=C2C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(N=C1COC2=CC3=C(CCC3=O)C=C2C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c1-16-23(28-29(27-16)20-5-3-2-4-6-20)15-33-25-14-21-19(11-12-24(21)30)13-22(25)17-7-9-18(10-8-17)26(31)32/h2-10,13-14H,11-12,15H2,1H3,(H,31,32)