3-[3-(4-acetamidophenyl)-2-azanyl-propanoyl]oxycarbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[3-(4-acetamidophenyl)-2-azanyl-propanoyl]oxycarbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[3-(4-acetamidophenyl)-2-amino-propanoyl]oxycarbonyl-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[3-(4-acetamidophenyl)-2-amino-1-oxopropoxy]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[3-(4-acetamidophenyl)-2-aminopropanoyl]oxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[3-(4-acetamidophenyl)-2-amino-propanoyl]oxycarbonyl-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)OC(=O)C2CCC(C2(C)C)(C)C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(C(=O)OC(=O)C2CCC(C2(C)C)(C)C(=O)O)N

InChI

InChI=1S/C21H28N2O6/c1-12(24)23-14-7-5-13(6-8-14)11-16(22)18(26)29-17(25)15-9-10-21(4,19(27)28)20(15,2)3/h5-8,15-16H,9-11,22H2,1-4H3,(H,23,24)(H,27,28)