3-phenylpropyl 5-[[4-(butan-2-ylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(butan-2-ylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[4-(sec-butylcarbamoyl)anilino]pentanoate CAS Name: 5-[4-[(butan-2-ylamino)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(sec-butylcarbamoyl)anilino]valeric acid 3-phenylpropyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-3-19(2)26-25(30)21-14-16-22(17-15-21)27-23(28)12-7-13-24(29)31-18-8-11-20-9-5-4-6-10-20/h4-6,9-10,14-17,19H,3,7-8,11-13,18H2,1-2H3,(H,26,30)(H,27,28)