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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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