2-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-5-piperidin-1-ylcarbonyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-5-piperidin-1-ylcarbonyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-5-(piperidine-1-carbonyl)benzonitrile hydrochloride CAS Name: 2-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-5-[oxo(1-piperidinyl)methyl]benzonitrile hydrochloride IUPAC Name: 2-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-5-(piperidine-1-carbonyl)benzonitrile hydrochloride Traditional Name: 2-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-5-(piperidine-1-carbonyl)benzonitrile hydrochloride Formula: C27H36ClN3O4 MolecularWeight: 502.04544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C(=O)N3CCCCC3)C#N)O.Cl

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C(=O)N3CCCCC3)C#N)O.Cl

InChI

InChI=1S/C27H35N3O4.ClH/c1-27(2,16-20-7-10-24(33-3)11-8-20)29-18-23(31)19-34-25-12-9-21(15-22(25)17-28)26(32)30-13-5-4-6-14-30;/h7-12,15,23,29,31H,4-6,13-14,16,18-19H2,1-3H3;1H