4-[[4-[3-[(5-methyl-2-octoxy-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[3-[(5-methyl-2-octoxy-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[[4-hydroxy-3-[(5-methyl-2-octoxy-phenyl)carbamoyl]-1-naphthyl]oxy]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[4-hydroxy-3-[(5-methyl-2-octoxyanilino)-oxomethyl]-1-naphthalenyl]oxy]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-hydroxy-3-[(5-methyl-2-octoxyphenyl)carbamoyl]naphthalen-1-yl]oxyanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-hydroxy-3-[(5-methyl-2-octoxy-phenyl)carbamoyl]-1-naphthoxy]anilino]-4-keto-butyric acid Formula: C36H40N2O7 MolecularWeight: 612.712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)NC(=O)CCC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C36H40N2O7/c1-3-4-5-6-7-10-21-44-31-18-13-24(2)22-30(31)38-36(43)29-23-32(27-11-8-9-12-28(27)35(29)42)45-26-16-14-25(15-17-26)37-33(39)19-20-34(40)41/h8-9,11-18,22-23,42H,3-7,10,19-21H2,1-2H3,(H,37,39)(H,38,43)(H,40,41)