methyl 2-[2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-(1-pivaloylisonipecotoyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)21(29)25-12-10-15(11-13-25)19(27)24(4)14-18(26)23-17-9-7-6-8-16(17)20(28)30-5/h6-9,15H,10-14H2,1-5H3,(H,23,26)