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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)N1CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCOC(C)N1CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31NO6/c1-4-5-12-30-16(2)26-14-20(17-6-9-19(29-3)10-7-17)23(25(27)28)24(26)18-8-11-21-22(13-18)32-15-31-21/h6-11,13,16,20,23-24H,4-5,12,14-15H2,1-3H3,(H,27,28)