4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluoranyl-hept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluoranyl-hept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluoro-hept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluorohept-2-enyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluorohept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butyl-2-fluoro-hept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C30H38FNO5 MolecularWeight: 511.624823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)F)CCCC

Isomeric SMILES

CCCCC(=C(CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)F)CCCC

InChI

InChI=1S/C30H38FNO5/c1-4-6-8-20(9-7-5-2)25(31)18-32-17-24(22-12-15-26-27(16-22)37-19-36-26)28(30(33)34)29(32)21-10-13-23(35-3)14-11-21/h10-16,24,28-29H,4-9,17-19H2,1-3H3,(H,33,34)