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

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl 3-(o-tolylmethyl)-1-(3-pyrazin-2-ylpropanoyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[1-oxo-3-(2-pyrazinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(3-pyrazin-2-ylpropanoyl)nipecotic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NC=CN=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NC=CN=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O3/c1-3-29-22(28)23(15-19-8-5-4-7-18(19)2)11-6-14-26(17-23)21(27)10-9-20-16-24-12-13-25-20/h4-5,7-8,12-13,16H,3,6,9-11,14-15,17H2,1-2H3