4-[(4-heptoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-heptoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-heptoxycarbonylanilino)-4-oxo-butanoic acid CAS Name: 4-[4-[heptoxy(oxo)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-(4-heptoxycarbonylanilino)-4-oxobutanoic acid Traditional Name: 4-(4-heptoxycarbonylanilino)-4-keto-butyric acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5/c1-2-3-4-5-6-13-24-18(23)14-7-9-15(10-8-14)19-16(20)11-12-17(21)22/h7-10H,2-6,11-13H2,1H3,(H,19,20)(H,21,22)