ethyl (3S)-1-[3-methyl-1-(3-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-methyl-1-(3-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-isopropyl-3-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-methyl-1-(3-methylphenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-methyl-1-(3-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-isopropyl-3-methyl-1-(m-tolyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC(=C3)C)C(C)C

InChI

InChI=1S/C23H31N3O3/c1-6-29-23(28)18-10-8-12-25(14-18)22(27)20-17(5)24-26(21(20)15(2)3)19-11-7-9-16(4)13-19/h7,9,11,13,15,18H,6,8,10,12,14H2,1-5H3/t18-/m0/s1