ethyl 1-[4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidine-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-(3,4-dimethylphenoxy)-2-phenyl-5-pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidine-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidine-5-carbonyl]nipecotic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2OC3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N=C2OC3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-4-33-27(32)21-11-8-14-30(17-21)26(31)23-16-28-24(20-9-6-5-7-10-20)29-25(23)34-22-13-12-18(2)19(3)15-22/h5-7,9-10,12-13,15-16,21H,4,8,11,14,17H2,1-3H3