(butanoylamino) 4-[1-(4-methoxyphenyl)-2-oxidanyl-7-(4-oxidanylidenebutanoylamino)-1-phenyl-heptyl]benzoate

Systemtic Name: (butanoylamino) 4-[1-(4-methoxyphenyl)-2-oxidanyl-7-(4-oxidanylidenebutanoylamino)-1-phenyl-heptyl]benzoate Openeye Name: (butanoylamino) 4-[2-hydroxy-1-(4-methoxyphenyl)-7-(4-oxobutanoylamino)-1-phenyl-heptyl]benzoate CAS Name: 4-[7-(1,4-dioxobutylamino)-2-hydroxy-1-(4-methoxyphenyl)-1-phenylheptyl]benzoic acid (1-oxobutylamino) ester IUPAC Name: (butanoylamino) 4-[2-hydroxy-1-(4-methoxyphenyl)-7-(4-oxobutanoylamino)-1-phenylheptyl]benzoate Traditional Name: 4-[2-hydroxy-7-(4-ketobutanoylamino)-1-(4-methoxyphenyl)-1-phenyl-heptyl]benzoic acid butyramido ester Formula: C35H42N2O7 MolecularWeight: 602.71718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(CCCCCNC(=O)CCC=O)O

Isomeric SMILES

CCCC(=O)NOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(CCCCCNC(=O)CCC=O)O

InChI

InChI=1S/C35H42N2O7/c1-3-11-33(41)37-44-34(42)26-16-18-28(19-17-26)35(27-12-6-4-7-13-27,29-20-22-30(43-2)23-21-29)31(39)14-8-5-9-24-36-32(40)15-10-25-38/h4,6-7,12-13,16-23,25,31,39H,3,5,8-11,14-15,24H2,1-2H3,(H,36,40)(H,37,41)