3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(phenylmethyl)-1-(piperidin-4-ylmethyl)urea hydrochloride

Systemtic Name: 3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(phenylmethyl)-1-(piperidin-4-ylmethyl)urea hydrochloride Openeye Name: 1-benzyl-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(4-piperidylmethyl)urea hydrochloride CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(phenylmethyl)-1-(4-piperidinylmethyl)urea hydrochloride IUPAC Name: 1-benzyl-3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(piperidin-4-ylmethyl)urea hydrochloride Traditional Name: 1-benzyl-3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(4-piperidylmethyl)urea hydrochloride Formula: C25H36ClN3O3 MolecularWeight: 462.02464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCNCC2)CC3=CC=CC=C3)OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2CCNCC2)CC3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C25H35N3O3.ClH/c1-25(2,3)21-14-20(31-4)15-22(23(21)29)27-24(30)28(16-18-8-6-5-7-9-18)17-19-10-12-26-13-11-19;/h5-9,14-15,19,26,29H,10-13,16-17H2,1-4H3,(H,27,30);1H