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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butylhept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butylhept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butylhept-2-enyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butylhept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(3-butylhept-2-enyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C30H39NO5 MolecularWeight: 493.63436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)CCCC

Isomeric SMILES

CCCCC(=CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)CCCC

InChI

InChI=1S/C30H39NO5/c1-4-6-8-21(9-7-5-2)16-17-31-19-25(23-12-15-26-27(18-23)36-20-35-26)28(30(32)33)29(31)22-10-13-24(34-3)14-11-22/h10-16,18,25,28-29H,4-9,17,19-20H2,1-3H3,(H,32,33)