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

Systemtic Name: 4-[(2-methoxy-2-oxidanylidene-ethyl)-di(propan-2-yl)azaniumyl]-2-(3-methylphenyl)-2-phenyl-butan-1-olate Openeye Name: 4-[diisopropyl-(2-methoxy-2-oxo-ethyl)ammonio]-2-(m-tolyl)-2-phenyl-butan-1-olate CAS Name: 4-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)ammonio]-2-(3-methylphenyl)-2-phenyl-1-butanolate IUPAC Name: 4-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)azaniumyl]-2-(3-methylphenyl)-2-phenylbutan-1-olate Traditional Name: 4-[diisopropyl-(2-keto-2-methoxy-ethyl)ammonio]-2-(m-tolyl)-2-phenyl-butan-1-olate Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3/c1-20(2)27(21(3)4,18-25(29)30-6)16-15-26(19-28,23-12-8-7-9-13-23)24-14-10-11-22(5)17-24/h7-14,17,20-21H,15-16,18-19H2,1-6H3