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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOCCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31NO6/c1-3-4-12-30-13-11-26-15-20(18-7-10-21-22(14-18)32-16-31-21)23(25(27)28)24(26)17-5-8-19(29-2)9-6-17/h5-10,14,20,23-24H,3-4,11-13,15-16H2,1-2H3,(H,27,28)