4-[[4-(octylamino)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(octylamino)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(octylamino)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[[4-(octylamino)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(octylamino)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[4-(octylamino)benzoyl]amino]butyric acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H28N2O4/c1-2-3-4-5-6-7-14-20-16-10-8-15(9-11-16)19(25)21-17(22)12-13-18(23)24/h8-11,20H,2-7,12-14H2,1H3,(H,23,24)(H,21,22,25)