4-oxidanylidene-4-[[4-(2,3,5-trimethylphenoxy)phenyl]methylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[4-(2,3,5-trimethylphenoxy)phenyl]methylamino]butanoate Openeye Name: 4-oxo-4-[[4-(2,3,5-trimethylphenoxy)phenyl]methylamino]butanoate CAS Name: 4-oxo-4-[[4-(2,3,5-trimethylphenoxy)phenyl]methylamino]butanoate IUPAC Name: 4-oxo-4-[[4-(2,3,5-trimethylphenoxy)phenyl]methylamino]butanoate Traditional Name: 4-keto-4-[[4-(2,3,5-trimethylphenoxy)benzyl]amino]butyrate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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