ethyl 4-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-ethoxy-4-hydroxy-benzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC)O

InChI

InChI=1S/C22H33N3O5/c1-3-29-20-15-17(5-6-19(20)26)16-23-9-7-18(8-10-23)21(27)24-11-13-25(14-12-24)22(28)30-4-2/h5-6,15,18,26H,3-4,7-14,16H2,1-2H3