4-[[4-(3,5-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(3,5-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3,5-dimethylphenoxy)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(3,5-dimethylphenoxy)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(3,5-dimethylphenoxy)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(3,5-dimethylphenoxy)anilino]-4-keto-butyric acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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