N,2-dimethylpropan-2-amine; [4-methanoyl-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate; hydrochloride

Systemtic Name: N,2-dimethylpropan-2-amine; [4-methanoyl-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate; hydrochloride Openeye Name: N,2-dimethylpropan-2-amine; [4-formyl-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate; hydrochloride CAS Name: N,2-dimethyl-2-propanamine; 4-methylbenzoic acid [4-formyl-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester; hydrochloride IUPAC Name: N,2-dimethylpropan-2-amine; [4-formyl-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate; hydrochloride Traditional Name: tert-butyl(methyl)amine; 4-methylbenzoic acid (4-formyl-2-p-toluoyloxy-phenyl) ester; hydrochloride Formula: C28H32ClNO5 MolecularWeight: 498.01038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC(=O)C3=CC=C(C=C3)C.CC(C)(C)NC.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC(=O)C3=CC=C(C=C3)C.CC(C)(C)NC.Cl

InChI

InChI=1S/C23H18O5.C5H13N.ClH/c1-15-3-8-18(9-4-15)22(25)27-20-12-7-17(14-24)13-21(20)28-23(26)19-10-5-16(2)6-11-19;1-5(2,3)6-4;/h3-14H,1-2H3;6H,1-4H3;1H