4-(1,3-benzodioxol-5-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-tert-butoxycarbonyl-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-tert-butoxycarbonyl-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C26H31NO7 MolecularWeight: 469.52684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(CN2C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(C(CN2C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H31NO7/c1-5-12-31-18-9-6-16(7-10-18)23-22(24(28)29)19(14-27(23)25(30)34-26(2,3)4)17-8-11-20-21(13-17)33-15-32-20/h6-11,13,19,22-23H,5,12,14-15H2,1-4H3,(H,28,29)