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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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