phenethyl 4-[[2-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-methyl-3-(propanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[2-methyl-3-(1-oxopropylamino)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-methyl-3-(propanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-3-propionamido-anilino)butyric acid phenethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-3-20(25)23-18-10-7-11-19(16(18)2)24-21(26)12-13-22(27)28-15-14-17-8-5-4-6-9-17/h4-11H,3,12-15H2,1-2H3,(H,23,25)(H,24,26)