4-[[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-[(3S,5S)-3,5-dimethylpiperidino]-3-pyridyl]amino]-4-keto-butyric acid Formula: C16H23N3O3 MolecularWeight: 305.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC=C(C=C2)NC(=O)CCC(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=NC=C(C=C2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C16H23N3O3/c1-11-7-12(2)10-19(9-11)14-4-3-13(8-17-14)18-15(20)5-6-16(21)22/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,20)(H,21,22)/t11-,12-/m0/s1