4-[2-[4-(4-chloranyl-3-methyl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-(4-chloranyl-3-methyl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(4-chloro-3-methyl-phenoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(4-chloro-3-methylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(4-chloro-3-methylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(4-chloro-3-methyl-phenoxy)phenyl]ethylamino]-4-keto-butyric acid Formula: C19H20ClNO4 MolecularWeight: 361.8194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C19H20ClNO4/c1-13-12-16(6-7-17(13)20)25-15-4-2-14(3-5-15)10-11-21-18(22)8-9-19(23)24/h2-7,12H,8-11H2,1H3,(H,21,22)(H,23,24)