4-[[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-chloro-3,5-dimethyl-phenoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-chloro-3,5-dimethyl-phenoxy)benzyl]amino]-4-keto-butyric acid Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O

InChI

InChI=1S/C19H20ClNO4/c1-12-9-16(10-13(2)19(12)20)25-15-5-3-14(4-6-15)11-21-17(22)7-8-18(23)24/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22)(H,23,24)