4-[[(E)-6-(2-chloranyl-5-methoxy-phenyl)hex-3-enyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(E)-6-(2-chloranyl-5-methoxy-phenyl)hex-3-enyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(E)-6-(2-chloro-5-methoxy-phenyl)hex-3-enyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(E)-6-(2-chloro-5-methoxyphenyl)hex-3-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(E)-6-(2-chloro-5-methoxyphenyl)hex-3-enyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(E)-6-(2-chloro-5-methoxy-phenyl)hex-3-enyl]amino]-4-keto-butyric acid Formula: C17H22ClNO4 MolecularWeight: 339.81388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)CCC=CCCNC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)CC/C=C/CCNC(=O)CCC(=O)O

InChI

InChI=1S/C17H22ClNO4/c1-23-14-7-8-15(18)13(12-14)6-4-2-3-5-11-19-16(20)9-10-17(21)22/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,19,20)(H,21,22)/b3-2+