4-oxidanylidene-4-[[4-(2,3,6-trimethylphenoxy)phenyl]methylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(2,3,6-trimethylphenoxy)phenyl]methylamino]butanoic acid Openeye Name: 4-oxo-4-[[4-(2,3,6-trimethylphenoxy)phenyl]methylamino]butanoic acid CAS Name: 4-oxo-4-[[4-(2,3,6-trimethylphenoxy)phenyl]methylamino]butanoic acid IUPAC Name: 4-oxo-4-[[4-(2,3,6-trimethylphenoxy)phenyl]methylamino]butanoic acid Traditional Name: 4-keto-4-[[4-(2,3,6-trimethylphenoxy)benzyl]amino]butyric acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-13-4-5-14(2)20(15(13)3)25-17-8-6-16(7-9-17)12-21-18(22)10-11-19(23)24/h4-9H,10-12H2,1-3H3,(H,21,22)(H,23,24)