methyl 2-[1-[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-butanoyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-butanoyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-butanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxobutyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethylbutanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-butanoyl]-4-piperidyl]acetic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H29N3O4/c1-15(24-20(27)18-7-5-17(14-23)6-8-18)22(2,3)21(28)25-11-9-16(10-12-25)13-19(26)29-4/h5-8,15-16H,9-13H2,1-4H3,(H,24,27)