4-[2-methoxy-5-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]phenoxy]-3-methyl-butanoic acid

Systemtic Name: 4-[2-methoxy-5-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]phenoxy]-3-methyl-butanoic acid Openeye Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-methoxy-phenoxy]-3-methyl-butanoic acid CAS Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxoethyl]amino]-2-methoxyphenoxy]-3-methylbutanoic acid IUPAC Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-methoxyphenoxy]-3-methylbutanoic acid Traditional Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-methoxy-phenoxy]-3-methyl-butyric acid Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)COC1=C(C=CC(=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4)OC

Isomeric SMILES

CC(CC(=O)O)COC1=C(C=CC(=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O6/c1-17(12-26(32)33)16-35-24-15-20(9-11-22(24)34-2)28-25(31)14-18-8-10-21-23(13-18)36-27(30-21)29-19-6-4-3-5-7-19/h3-11,13,15,17H,12,14,16H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)