2-[(4S,5R)-5-ethyl-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2-oxidanylidene-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[(4S,5R)-5-ethyl-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2-oxidanylidene-piperidin-4-yl]ethanoic acid Openeye Name: 2-[(4S,5R)-5-ethyl-1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-2-oxo-4-piperidyl]acetic acid CAS Name: 2-[(4S,5R)-5-ethyl-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-oxo-4-piperidinyl]acetic acid IUPAC Name: 2-[(4S,5R)-5-ethyl-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-oxopiperidin-4-yl]acetic acid Traditional Name: 2-[(4S,5R)-5-ethyl-1-homovanillyl-2-keto-4-piperidyl]acetic acid Formula: C18H25NO5 MolecularWeight: 335.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(=O)CC1CC(=O)O)CCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC[C@H]1CN(C(=O)C[C@H]1CC(=O)O)CCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C18H25NO5/c1-3-13-11-19(17(21)9-14(13)10-18(22)23)7-6-12-4-5-15(20)16(8-12)24-2/h4-5,8,13-14,20H,3,6-7,9-11H2,1-2H3,(H,22,23)/t13-,14-/m0/s1