phenethyl 4-[[3-(butanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(butanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[3-(butanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[3-(1-oxobutylamino)anilino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[3-(butanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-(3-butyramidoanilino)-4-keto-butyric acid phenethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-2-7-20(25)23-18-10-6-11-19(16-18)24-21(26)12-13-22(27)28-15-14-17-8-4-3-5-9-17/h3-6,8-11,16H,2,7,12-15H2,1H3,(H,23,25)(H,24,26)