1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-2-methyl-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-2-methyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-(3,3-dimethylbutanoyl)-2-methyl-5-(m-tolyl)proline Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-13-8-7-9-14(10-13)17-15(18(24)27-6)11-21(5,19(25)26)22(17)16(23)12-20(2,3)4/h7-10,15,17H,11-12H2,1-6H3,(H,25,26)