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

Systemtic Name: ethyl 1-[2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidin-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(3-isopropylphenoxy)-2-phenyl-pyrimidine-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[2-phenyl-4-(3-propan-2-ylphenoxy)-5-pyrimidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-(3-isopropylphenoxy)-2-phenyl-pyrimidine-5-carbonyl]nipecotic acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O4/c1-4-34-28(33)22-13-9-15-31(18-22)27(32)24-17-29-25(20-10-6-5-7-11-20)30-26(24)35-23-14-8-12-21(16-23)19(2)3/h5-8,10-12,14,16-17,19,22H,4,9,13,15,18H2,1-3H3