ethyl 3-(2-methoxyethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidine-3-carboxylate CAS Name: 3-(2-methoxyethyl)-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidine-3-carboxylate Traditional Name: 3-(2-methoxyethyl)-1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]nipecotic acid ethyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)CCOC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)CCOC

InChI

InChI=1S/C24H29N3O3/c1-3-30-23(28)24(12-14-29-2)11-4-13-27(18-24)17-21-8-5-20(6-9-21)7-10-22-15-25-19-26-16-22/h5-6,8-9,15-16,19H,3-4,11-14,17-18H2,1-2H3