1-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate CAS Name: 1-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-4-piperidinecarboxylate IUPAC Name: 1-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)isonipecotate Formula: C18H20N3O3- MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-12-15(11-13-5-3-2-4-6-13)16(22)20-18(19-12)21-9-7-14(8-10-21)17(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)(H,19,20,22)/p-1