6-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[2-(4-butoxyanilino)-2-oxo-ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[[2-(4-butoxyanilino)-2-oxoethoxy]-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[2-(4-butoxyanilino)-2-oxoethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[2-(4-butoxyanilino)-2-keto-ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C27H30N2O7/c1-2-3-16-35-21-14-12-19(13-15-21)28-24(30)17-36-27(34)18-8-10-20(11-9-18)29-25(31)22-6-4-5-7-23(22)26(32)33/h4-5,8-15,22-23H,2-3,6-7,16-17H2,1H3,(H,28,30)(H,29,31)(H,32,33)