(4-methoxyphenyl) 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidine-2-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidine-2-carboxylate Openeye Name: (4-methoxyphenyl) 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidine-2-carboxylate CAS Name: 2-(aminomethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidine-2-carboxylate Traditional Name: 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)pipecolinic acid (4-methoxyphenyl) ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2(CCCCN2C3=NC(=NC=C3)N4C=CN=C4)CN

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2(CCCCN2C3=NC(=NC=C3)N4C=CN=C4)CN

InChI

InChI=1S/C21H24N6O3/c1-29-16-4-6-17(7-5-16)30-19(28)21(14-22)9-2-3-12-27(21)18-8-10-24-20(25-18)26-13-11-23-15-26/h4-8,10-11,13,15H,2-3,9,12,14,22H2,1H3