4-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-methoxy-4-(m-tolylmethoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[3-methoxy-4-(3-methylbenzyl)oxy-phenyl]ethylamino]butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)CCNC(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)CCNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C21H25NO5/c1-15-4-3-5-17(12-15)14-27-18-7-6-16(13-19(18)26-2)10-11-22-20(23)8-9-21(24)25/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,23)(H,24,25)