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

Systemtic Name: 3-phenylpropyl 4-[[4-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-(2-methylpropanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[4-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(2-methylpropanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-[4-(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=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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