(3S,4R)-1-cyclohexylcarbonyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-1-cyclohexylcarbonyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-1-(cyclohexanecarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-1-[cyclohexyl(oxo)methyl]-4-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-1-(cyclohexanecarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-1-(cyclohexanecarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C19H25NO4 MolecularWeight: 331.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)C3CCCCC3

InChI

InChI=1S/C19H25NO4/c1-24-15-9-7-13(8-10-15)16-11-20(12-17(16)19(22)23)18(21)14-5-3-2-4-6-14/h7-10,14,16-17H,2-6,11-12H2,1H3,(H,22,23)/t16-,17+/m0/s1