ethyl 3-[(2-methylphenyl)methyl]-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-(o-tolylmethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[oxo(2-pyrazinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-pyrazinoyl-nipecotic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC=CN=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC=CN=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O3/c1-3-27-20(26)21(13-17-8-5-4-7-16(17)2)9-6-12-24(15-21)19(25)18-14-22-10-11-23-18/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3