methyl 2-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[5-(2-methylphenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC)C5=CN=CC=C5

InChI

InChI=1S/C30H28N4O3/c1-20-8-3-4-10-23(20)26-19-32-28(22-9-7-15-31-18-22)33-27(26)21-13-16-34(17-14-21)29(35)24-11-5-6-12-25(24)30(36)37-2/h3-12,15,18-19,21H,13-14,16-17H2,1-2H3