ethyl (3R)-3-(3-phenylpropyl)-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-phenylpropyl)-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-1-[oxo(2-pyrazinyl)methyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(3-phenylpropyl)-1-pyrazinoyl-nipecotic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC=CN=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=NC=CN=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-28-21(27)22(11-6-10-18-8-4-3-5-9-18)12-7-15-25(17-22)20(26)19-16-23-13-14-24-19/h3-5,8-9,13-14,16H,2,6-7,10-12,15,17H2,1H3/t22-/m1/s1