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

Systemtic Name: 3-phenylpropyl 4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-[4-(isovalerylamino)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-18(2)17-23(28)26-21-12-10-20(11-13-21)25-22(27)14-15-24(29)30-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,18H,6,9,14-17H2,1-2H3,(H,25,27)(H,26,28)