ethyl (3S)-1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[4-(5-acetamido-3-methyl-1-pyrazolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(5-acetamido-3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

InChI

InChI=1S/C21H26N4O4/c1-4-29-21(28)17-6-5-11-24(13-17)20(27)16-7-9-18(10-8-16)25-19(22-15(3)26)12-14(2)23-25/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,22,26)/t17-/m0/s1