4-[methoxycarbonyl-di(propan-2-yl)azaniumyl]-1-(3-methylphenyl)-1-phenyl-butan-1-olate

Systemtic Name: 4-[methoxycarbonyl-di(propan-2-yl)azaniumyl]-1-(3-methylphenyl)-1-phenyl-butan-1-olate Openeye Name: 4-[diisopropyl(methoxycarbonyl)ammonio]-1-(m-tolyl)-1-phenyl-butan-1-olate CAS Name: 4-[methoxycarbonyl-di(propan-2-yl)ammonio]-1-(3-methylphenyl)-1-phenyl-1-butanolate IUPAC Name: 4-[methoxycarbonyl-di(propan-2-yl)azaniumyl]-1-(3-methylphenyl)-1-phenylbutan-1-olate Traditional Name: 4-[carbomethoxy(diisopropyl)ammonio]-1-(m-tolyl)-1-phenyl-butan-1-olate Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCC[N+](C(C)C)(C(C)C)C(=O)OC)(C2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C(CCC[N+](C(C)C)(C(C)C)C(=O)OC)(C2=CC=CC=C2)[O-]

InChI

InChI=1S/C25H35NO3/c1-19(2)26(20(3)4,24(27)29-6)17-11-16-25(28,22-13-8-7-9-14-22)23-15-10-12-21(5)18-23/h7-10,12-15,18-20H,11,16-17H2,1-6H3