methyl 4-[methyl-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[methyl-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]carbamoyl]benzoate Openeye Name: methyl 4-[methyl-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]carbamoyl]benzoate CAS Name: 4-[[methyl-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[methyl-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]carbamoyl]benzoate Traditional Name: 4-[methyl-[2-(4-phenylpiperidino)pyrimidin-4-yl]carbamoyl]benzoic acid methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H26N4O3/c1-28(23(30)20-8-10-21(11-9-20)24(31)32-2)22-12-15-26-25(27-22)29-16-13-19(14-17-29)18-6-4-3-5-7-18/h3-12,15,19H,13-14,16-17H2,1-2H3