2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(2-ethoxycarbonylindolin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-carbethoxyindolin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C32H36N2O6S MolecularWeight: 576.70304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O)C

InChI

InChI=1S/C32H36N2O6S/c1-3-40-32(37)30-21-24-8-4-5-9-29(24)34(30)41(38,39)26-15-17-27(22(2)20-26)28(31(35)36)16-12-23-10-13-25(14-11-23)33-18-6-7-19-33/h4-5,8-11,13-15,17,20,28,30H,3,6-7,12,16,18-19,21H2,1-2H3,(H,35,36)