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

Systemtic Name: 3-phenylpropyl 5-[[4-methyl-3-(propanoylamino)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-methyl-3-(propanoylamino)anilino]-5-oxo-pentanoate CAS Name: 5-[4-methyl-3-(1-oxopropylamino)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-methyl-3-(propanoylamino)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-(4-methyl-3-propionamido-anilino)valeric acid 3-phenylpropyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-3-22(27)26-21-17-20(15-14-18(21)2)25-23(28)12-7-13-24(29)30-16-8-11-19-9-5-4-6-10-19/h4-6,9-10,14-15,17H,3,7-8,11-13,16H2,1-2H3,(H,25,28)(H,26,27)