4-methoxycarbonyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxycarbonyl-1-(3-methylbutanoyl)-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-1-(3-methyl-1-oxobutyl)-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxycarbonyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-isovaleryl-5-(m-tolyl)proline Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(CC(N2C(=O)CC(C)C)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2C(CC(N2C(=O)CC(C)C)C(=O)O)C(=O)OC

InChI

InChI=1S/C19H25NO5/c1-11(2)8-16(21)20-15(18(22)23)10-14(19(24)25-4)17(20)13-7-5-6-12(3)9-13/h5-7,9,11,14-15,17H,8,10H2,1-4H3,(H,22,23)