2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid

Systemtic Name: 2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid Openeye Name: 2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]butanoic acid CAS Name: 2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1-pyrrolyl]ethoxy]phenyl]methyl-[(4-methoxyphenoxy)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methylpyrrol-1-yl]ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid Traditional Name: 2-[[3-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-pyrrol-1-yl]ethoxy]benzyl]-(4-methoxyphenoxy)carbonyl-amino]butyric acid Formula: C33H34N2O8 MolecularWeight: 586.63166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC(=CC=C1)OCCN2C(=CC=C2C3=CC4=C(C=C3)OCO4)C)C(=O)OC5=CC=C(C=C5)OC

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC(=CC=C1)OCCN2C(=CC=C2C3=CC4=C(C=C3)OCO4)C)C(=O)OC5=CC=C(C=C5)OC

InChI

InChI=1S/C33H34N2O8/c1-4-28(32(36)37)35(33(38)43-26-12-10-25(39-3)11-13-26)20-23-6-5-7-27(18-23)40-17-16-34-22(2)8-14-29(34)24-9-15-30-31(19-24)42-21-41-30/h5-15,18-19,28H,4,16-17,20-21H2,1-3H3,(H,36,37)