4-[(4-acetamido-3-octan-2-yloxy-phenyl)-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoic acid

Systemtic Name: 4-[(4-acetamido-3-octan-2-yloxy-phenyl)-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[4-acetamido-N-(4-ethoxy-4-oxo-butyl)-3-(1-methylheptoxy)anilino]butanoic acid CAS Name: 4-(4-acetamido-N-(4-ethoxy-4-oxobutyl)-3-octan-2-yloxyanilino)butanoic acid IUPAC Name: 4-(4-acetamido-N-(4-ethoxy-4-oxobutyl)-3-octan-2-yloxyanilino)butanoic acid Traditional Name: 4-[4-acetamido-N-(4-ethoxy-4-keto-butyl)-3-(1-methylheptoxy)anilino]butyric acid Formula: C26H42N2O6 MolecularWeight: 478.62148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=CC(=C1)N(CCCC(=O)O)CCCC(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCC(C)OC1=C(C=CC(=C1)N(CCCC(=O)O)CCCC(=O)OCC)NC(=O)C

InChI

InChI=1S/C26H42N2O6/c1-5-7-8-9-12-20(3)34-24-19-22(15-16-23(24)27-21(4)29)28(17-10-13-25(30)31)18-11-14-26(32)33-6-2/h15-16,19-20H,5-14,17-18H2,1-4H3,(H,27,29)(H,30,31)