ethyl 1-[(2-azanylpyrimidin-5-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-azanylpyrimidin-5-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-amino-5-pyrimidinyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2-aminopyrimidin-5-yl)methyl]-4-m-anisyl-isonipecotic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)N)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)N)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N4O3/c1-3-28-19(26)21(12-16-5-4-6-18(11-16)27-2)7-9-25(10-8-21)15-17-13-23-20(22)24-14-17/h4-6,11,13-14H,3,7-10,12,15H2,1-2H3,(H2,22,23,24)