4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butanoic acid

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butanoic acid Openeye Name: 4-[2-[2-(1-naphthyl)propanoylamino]-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butanoic acid IUPAC Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butanoic acid Traditional Name: 4-[2-[2-(1-naphthyl)propanoylamino]-4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]phenyl]butyric acid Formula: C32H30N4O4 MolecularWeight: 534.605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=C(C=C4)N5C=NC=N5)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=C(C=C4)N5C=NC=N5)CCCC(=O)O

InChI

InChI=1S/C32H30N4O4/c1-22(28-10-4-7-24-6-2-3-9-29(24)28)32(39)35-30-18-23(12-13-25(30)8-5-11-31(37)38)19-40-27-16-14-26(15-17-27)36-21-33-20-34-36/h2-4,6-7,9-10,12-18,20-22H,5,8,11,19H2,1H3,(H,35,39)(H,37,38)