4-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(1,3-benzoxazol-2-yl)-2-methyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-(1,3-benzoxazol-2-yl)-2-methyl-anilino]-4-keto-butyric acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCC(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H16N2O4/c1-11-12(18-20-14-6-2-3-8-15(14)24-18)5-4-7-13(11)19-16(21)9-10-17(22)23/h2-8H,9-10H2,1H3,(H,19,21)(H,22,23)