4-[3,3-dimethylbutanoyl-[(3-methylphenyl)methyl]amino]-1-prop-2-enoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[3,3-dimethylbutanoyl-[(3-methylphenyl)methyl]amino]-1-prop-2-enoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-allyloxycarbonyl-4-[3,3-dimethylbutanoyl(m-tolylmethyl)amino]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3,3-dimethyl-1-oxobutyl)-[(3-methylphenyl)methyl]amino]-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[3,3-dimethylbutanoyl-[(3-methylphenyl)methyl]amino]-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-allyloxycarbonyl-4-[3,3-dimethylbutanoyl-(3-methylbenzyl)amino]proline Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2CC(N(C2)C(=O)OCC=C)C(=O)O)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2CC(N(C2)C(=O)OCC=C)C(=O)O)C(=O)CC(C)(C)C

InChI

InChI=1S/C23H32N2O5/c1-6-10-30-22(29)25-15-18(12-19(25)21(27)28)24(20(26)13-23(3,4)5)14-17-9-7-8-16(2)11-17/h6-9,11,18-19H,1,10,12-15H2,2-5H3,(H,27,28)