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

Systemtic Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(2-ethoxycarbonylindolin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(2-ethoxycarbonyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-carbethoxyindolin-1-yl)sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C31H34N2O6S MolecularWeight: 562.67646

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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

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

InChI

InChI=1S/C31H34N2O6S/c1-2-39-31(36)29-21-24-7-3-4-8-28(24)33(29)40(37,38)26-16-12-23(13-17-26)27(30(34)35)18-11-22-9-14-25(15-10-22)32-19-5-6-20-32/h3-4,7-10,12-17,27,29H,2,5-6,11,18-21H2,1H3,(H,34,35)