ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-ethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-ethoxybenzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4/c1-3-28-20-7-5-6-18(16-20)17-23-10-8-19(9-11-23)21(26)24-12-14-25(15-13-24)22(27)29-4-2/h5-7,16,19H,3-4,8-15,17H2,1-2H3