3-phenylpropyl 5-[[2-methyl-3-(propanoylamino)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-methyl-3-(propanoylamino)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-methyl-3-(propanoylamino)anilino]-5-oxo-pentanoate CAS Name: 5-[2-methyl-3-(1-oxopropylamino)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-methyl-3-(propanoylamino)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-(2-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)25-20-13-7-14-21(18(20)2)26-23(28)15-8-16-24(29)30-17-9-12-19-10-5-4-6-11-19/h4-7,10-11,13-14H,3,8-9,12,15-17H2,1-2H3,(H,25,27)(H,26,28)