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

Systemtic Name: 3-phenylpropyl 4-[[3-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[3-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-[3-(isobutyrylamino)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4/c1-17(2)23(28)25-20-12-6-11-19(16-20)24-21(26)13-14-22(27)29-15-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-12,16-17H,7,10,13-15H2,1-2H3,(H,24,26)(H,25,28)