4-[5-methyl-2-oxidanylidene-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]butanoic acid

Systemtic Name: 4-[5-methyl-2-oxidanylidene-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]butanoic acid Openeye Name: 4-[5-methyl-2-oxo-4-[4-[(2-pyridylamino)methyl]-1-piperidyl]pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-4-[4-[(2-pyridinylamino)methyl]-1-piperidinyl]-1-pyrimidinyl]butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]butanoic acid Traditional Name: 4-[2-keto-5-methyl-4-[4-[(2-pyridylamino)methyl]piperidino]pyrimidin-1-yl]butyric acid Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=CC=CC=N3)CCCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=CC=CC=N3)CCCC(=O)O

InChI

InChI=1S/C20H27N5O3/c1-15-14-25(10-4-6-18(26)27)20(28)23-19(15)24-11-7-16(8-12-24)13-22-17-5-2-3-9-21-17/h2-3,5,9,14,16H,4,6-8,10-13H2,1H3,(H,21,22)(H,26,27)