3-[3-[4-(acetyloxymethyl)-2-methoxy-phenyl]octanoylamino]-2-tert-butyl-5-methoxy-benzoic acid

Systemtic Name: 3-[3-[4-(acetyloxymethyl)-2-methoxy-phenyl]octanoylamino]-2-tert-butyl-5-methoxy-benzoic acid Openeye Name: 3-[3-[4-(acetoxymethyl)-2-methoxy-phenyl]octanoylamino]-2-tert-butyl-5-methoxy-benzoic acid CAS Name: 3-[[3-[4-(acetyloxymethyl)-2-methoxyphenyl]-1-oxooctyl]amino]-2-tert-butyl-5-methoxybenzoic acid IUPAC Name: 3-[3-[4-(acetyloxymethyl)-2-methoxyphenyl]octanoylamino]-2-tert-butyl-5-methoxybenzoic acid Traditional Name: 3-[3-[4-(acetoxymethyl)-2-methoxy-phenyl]octanoylamino]-2-tert-butyl-5-methoxy-benzoic acid Formula: C30H41NO7 MolecularWeight: 527.64904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C(=CC(=C1)OC)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)COC(=O)C)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C(=CC(=C1)OC)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)COC(=O)C)OC

InChI

InChI=1S/C30H41NO7/c1-8-9-10-11-21(23-13-12-20(14-26(23)37-7)18-38-19(2)32)15-27(33)31-25-17-22(36-6)16-24(29(34)35)28(25)30(3,4)5/h12-14,16-17,21H,8-11,15,18H2,1-7H3,(H,31,33)(H,34,35)