4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxidanylidene-1-phenylmethoxy-pentan-2-yl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxidanylidene-1-phenylmethoxy-pentan-2-yl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(1-benzyloxycarbonylbutyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxo-1-phenylmethoxypentan-2-yl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(1-oxo-1-phenylmethoxypentan-2-yl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(1-carbobenzoxybutyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C31H33NO7 MolecularWeight: 531.59622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC1=CC=CC=C1)N2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC(C(=O)OCC1=CC=CC=C1)N2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H33NO7/c1-3-7-25(31(35)37-18-20-8-5-4-6-9-20)32-17-24(22-12-15-26-27(16-22)39-19-38-26)28(30(33)34)29(32)21-10-13-23(36-2)14-11-21/h4-6,8-16,24-25,28-29H,3,7,17-19H2,1-2H3,(H,33,34)