5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-cyanophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide Formula: C35H35N3O7 MolecularWeight: 609.6683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)N)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C35H35N3O7/c1-42-25-14-12-23(16-27(25)43-2)29-30(33(39)21-10-8-20(18-36)9-11-21)31(24-13-15-26-28(17-24)45-19-44-26)38(32(29)34(37)40)35(41)22-6-4-3-5-7-22/h8-17,22,29-32H,3-7,19H2,1-2H3,(H2,37,40)