ethyl 4-[4-[4-(2-pyridin-3-yloxypropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(2-pyridin-3-yloxypropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-[2-(3-pyridyloxy)propylamino]-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[4-[2-(3-pyridinyloxy)propylamino]-1-piperidinyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(2-pyridin-3-yloxypropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[2-(3-pyridyloxy)propylamino]piperidino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC(C)OC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC(C)OC4=CN=CC=C4

InChI

InChI=1S/C27H37N5O4/c1-3-35-27(34)32-17-15-31(16-18-32)26(33)22-6-8-24(9-7-22)30-13-10-23(11-14-30)29-19-21(2)36-25-5-4-12-28-20-25/h4-9,12,20-21,23,29H,3,10-11,13-19H2,1-2H3