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

Systemtic Name: 4-oxidanylidene-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoate CAS Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoate Traditional Name: 4-keto-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butyrate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-14-12-15(2)16(3)19(13-14)26-18-6-4-17(5-7-18)10-11-22-20(23)8-9-21(24)25/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)(H,24,25)/p-1