2-[4-[2-(2-azanylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butanoic acid

Systemtic Name: 2-[4-[2-(2-azanylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butanoic acid Openeye Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butanoic acid CAS Name: 2-[4-[[2-[2-aminoethoxy(oxo)methyl]-1-pyrrolidinyl]sulfonyl]-2-methylphenyl]-4-(4-methoxyphenyl)butanoic acid IUPAC Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl]-4-(4-methoxyphenyl)butanoic acid Traditional Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidino]sulfonyl-2-methyl-phenyl]-4-(4-methoxyphenyl)butyric acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN)C(CCC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN)C(CCC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C25H32N2O7S/c1-17-16-20(35(31,32)27-14-3-4-23(27)25(30)34-15-13-26)10-12-21(17)22(24(28)29)11-7-18-5-8-19(33-2)9-6-18/h5-6,8-10,12,16,22-23H,3-4,7,11,13-15,26H2,1-2H3,(H,28,29)