4-[[5-chloranyl-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-chloranyl-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-chloro-2-(m-tolylmethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[5-chloro-2-(3-methylbenzyl)oxy-benzyl]amino]-4-keto-butyric acid Formula: C19H20ClNO4 MolecularWeight: 361.8194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)O

InChI

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