methyl 3-[[(3S)-1-ethanoylpiperidin-3-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(3S)-1-ethanoylpiperidin-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(3S)-1-acetyl-3-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(3S)-1-acetylnipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H]2CCCN(C2)C(=O)C

InChI

InChI=1S/C17H22N2O4/c1-11-6-7-13(17(22)23-3)9-15(11)18-16(21)14-5-4-8-19(10-14)12(2)20/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,18,21)/t14-/m0/s1