4-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]-6-pyrrolidin-1-yl-phenoxy]-2-butyl-hexanoic acid

Systemtic Name: 4-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]-6-pyrrolidin-1-yl-phenoxy]-2-butyl-hexanoic acid Openeye Name: 2-butyl-4-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]-6-pyrrolidin-1-yl-phenoxy]hexanoic acid CAS Name: 2-butyl-4-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-oxoethyl]-6-(1-pyrrolidinyl)phenoxy]hexanoic acid IUPAC Name: 2-butyl-4-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]acetyl]-6-pyrrolidin-1-ylphenoxy]hexanoic acid Traditional Name: 2-butyl-4-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]-6-pyrrolidino-phenoxy]hexanoic acid Formula: C34H46N4O6 MolecularWeight: 606.75224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CC)OC1=C(C=CC=C1N2CCCC2)C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)NC)OCC)C(=O)O

Isomeric SMILES

CCCCC(CC(CC)OC1=C(C=CC=C1N2CCCC2)C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)NC)OCC)C(=O)O

InChI

InChI=1S/C34H46N4O6/c1-5-8-12-22(34(41)42)17-24(6-2)44-31-25(13-11-14-28(31)37-15-9-10-16-37)29(39)21-38-20-23-18-30(43-7-3)27(33(40)36-4)19-26(23)32(38)35/h11,13-14,18-19,22,24,35H,5-10,12,15-17,20-21H2,1-4H3,(H,36,40)(H,41,42)