ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-4-30-23(29)24(12-8-11-20-9-6-5-7-10-20)13-15-27(16-14-24)22(28)21-17-18(2)25-19(3)26-21/h5-7,9-10,17H,4,8,11-16H2,1-3H3