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

Systemtic Name: ethyl 1-[(2-azanylpyrimidin-5-yl)methyl]-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2-amino-5-pyrimidinyl)methyl]-3-[(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-aminopyrimidin-5-yl)methyl]-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(2-aminopyrimidin-5-yl)methyl]-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)N)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)N)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-2-27-18(26)20(10-15-5-3-6-17(21)9-15)7-4-8-25(14-20)13-16-11-23-19(22)24-12-16/h3,5-6,9,11-12H,2,4,7-8,10,13-14H2,1H3,(H2,22,23,24)