5-oxidanylidene-5-[[4-(3-phenylpropanoylamino)phenyl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[4-(3-phenylpropanoylamino)phenyl]amino]pentanoic acid Openeye Name: 5-oxo-5-[4-(3-phenylpropanoylamino)anilino]pentanoic acid CAS Name: 5-oxo-5-[4-[(1-oxo-3-phenylpropyl)amino]anilino]pentanoic acid IUPAC Name: 5-oxo-5-[4-(3-phenylpropanoylamino)anilino]pentanoic acid Traditional Name: 5-[4-(hydrocinnamoylamino)anilino]-5-keto-valeric acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H22N2O4/c23-18(7-4-8-20(25)26)21-16-10-12-17(13-11-16)22-19(24)14-9-15-5-2-1-3-6-15/h1-3,5-6,10-13H,4,7-9,14H2,(H,21,23)(H,22,24)(H,25,26)