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

Systemtic Name: 4-[[4-(3,5-dimethylphenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,5-dimethylphenoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(3,5-dimethylphenoxy)benzyl]amino]-4-keto-butyric acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-13-9-14(2)11-17(10-13)24-16-5-3-15(4-6-16)12-20-18(21)7-8-19(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)(H,22,23)