3-phenylpropyl 5-[[4-(3-methylbutanoylamino)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(3-methylbutanoylamino)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(3-methylbutanoylamino)anilino]-5-oxo-pentanoate CAS Name: 5-[4-[(3-methyl-1-oxobutyl)amino]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(3-methylbutanoylamino)anilino]-5-oxopentanoate Traditional Name: 5-[4-(isovalerylamino)anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-19(2)18-24(29)27-22-15-13-21(14-16-22)26-23(28)11-6-12-25(30)31-17-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16,19H,6-7,10-12,17-18H2,1-2H3,(H,26,28)(H,27,29)