4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-keto-butyric acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H19NO4/c1-12-4-3-5-13(2)18(12)23-15-8-6-14(7-9-15)19-16(20)10-11-17(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)