ethyl 4-[3-chloranyl-5-(2-phenylethanoylamino)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 4-[3-chloranyl-5-(2-phenylethanoylamino)phenyl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 4-[3-chloro-5-[(2-phenylacetyl)amino]phenyl]-5-oxo-pentanoate CAS Name: 4-[3-chloro-5-[(1-oxo-2-phenylethyl)amino]phenyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-5-[(2-phenylacetyl)amino]phenyl]-5-oxopentanoate Traditional Name: 4-[3-chloro-5-[(2-phenylacetyl)amino]phenyl]-5-keto-valeric acid ethyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C=O)C1=CC(=CC(=C1)Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(C=O)C1=CC(=CC(=C1)Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22ClNO4/c1-2-27-21(26)9-8-16(14-24)17-11-18(22)13-19(12-17)23-20(25)10-15-6-4-3-5-7-15/h3-7,11-14,16H,2,8-10H2,1H3,(H,23,25)