[4-(5-azanyl-3-oxidanyl-6-oxidanylidene-6-phenyl-hexan-3-yl)phenyl] 4-chloranylbutanoate

Systemtic Name: [4-(5-azanyl-3-oxidanyl-6-oxidanylidene-6-phenyl-hexan-3-yl)phenyl] 4-chloranylbutanoate Openeye Name: [4-(3-amino-1-ethyl-1-hydroxy-4-oxo-4-phenyl-butyl)phenyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-(5-amino-3-hydroxy-6-oxo-6-phenylhexan-3-yl)phenyl] ester IUPAC Name: [4-(5-amino-3-hydroxy-6-oxo-6-phenylhexan-3-yl)phenyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-(3-amino-1-ethyl-1-hydroxy-4-keto-4-phenyl-butyl)phenyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(=O)C1=CC=CC=C1)N)(C2=CC=C(C=C2)OC(=O)CCCCl)O

Isomeric SMILES

CCC(CC(C(=O)C1=CC=CC=C1)N)(C2=CC=C(C=C2)OC(=O)CCCCl)O

InChI

InChI=1S/C22H26ClNO4/c1-2-22(27,15-19(24)21(26)16-7-4-3-5-8-16)17-10-12-18(13-11-17)28-20(25)9-6-14-23/h3-5,7-8,10-13,19,27H,2,6,9,14-15,24H2,1H3