4-[3-[[2-methyl-3-(2-phenylazanyl-1,3-benzoxazol-6-yl)propanoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[3-[[2-methyl-3-(2-phenylazanyl-1,3-benzoxazol-6-yl)propanoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[3-[[3-(2-anilino-1,3-benzoxazol-6-yl)-2-methyl-propanoyl]amino]phenoxy]butanoic acid CAS Name: 4-[3-[[3-(2-anilino-1,3-benzoxazol-6-yl)-2-methyl-1-oxopropyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[[3-(2-anilino-1,3-benzoxazol-6-yl)-2-methylpropanoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[3-[[3-(2-anilino-1,3-benzoxazol-6-yl)-2-methyl-propanoyl]amino]phenoxy]butyric acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N=C(O2)NC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OCCCC(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N=C(O2)NC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OCCCC(=O)O

InChI

InChI=1S/C27H27N3O5/c1-18(26(33)28-21-9-5-10-22(17-21)34-14-6-11-25(31)32)15-19-12-13-23-24(16-19)35-27(30-23)29-20-7-3-2-4-8-20/h2-5,7-10,12-13,16-18H,6,11,14-15H2,1H3,(H,28,33)(H,29,30)(H,31,32)