4-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[butylamino(oxo)methyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O6/c1-3-4-11-25-24(29)26-13-18(16-7-10-19-20(12-16)32-14-31-19)21(23(27)28)22(26)15-5-8-17(30-2)9-6-15/h5-10,12,18,21-22H,3-4,11,13-14H2,1-2H3,(H,25,29)(H,27,28)