methyl 2-[ethyl-[2-[1-(phenylmethyl)piperazin-2-yl]phenyl]carbonyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[ethyl-[2-[1-(phenylmethyl)piperazin-2-yl]phenyl]carbonyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 2-[[2-(1-benzylpiperazin-2-yl)benzoyl]-ethyl-amino]cyclohexanecarboxylate CAS Name: 2-[ethyl-[oxo-[2-[1-(phenylmethyl)-2-piperazinyl]phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1-benzylpiperazin-2-yl)benzoyl]-ethylamino]cyclohexane-1-carboxylate Traditional Name: 2-[[2-(1-benzylpiperazin-2-yl)benzoyl]-ethyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1C(=O)OC)C(=O)C2=CC=CC=C2C3CNCCN3CC4=CC=CC=C4

Isomeric SMILES

CCN(C1CCCCC1C(=O)OC)C(=O)C2=CC=CC=C2C3CNCCN3CC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c1-3-31(25-16-10-9-15-24(25)28(33)34-2)27(32)23-14-8-7-13-22(23)26-19-29-17-18-30(26)20-21-11-5-4-6-12-21/h4-8,11-14,24-26,29H,3,9-10,15-20H2,1-2H3