[2-acetyloxy-4-[2-(tert-butylamino)ethanoyl]phenyl] ethanoate; methylbenzene; hydrochloride

Systemtic Name: [2-acetyloxy-4-[2-(tert-butylamino)ethanoyl]phenyl] ethanoate; methylbenzene; hydrochloride Openeye Name: [2-acetoxy-4-[2-(tert-butylamino)acetyl]phenyl] acetate; toluene; hydrochloride CAS Name: acetic acid [2-acetyloxy-4-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester; toluene; hydrochloride IUPAC Name: [2-acetyloxy-4-[2-(tert-butylamino)acetyl]phenyl] acetate; toluene; hydrochloride Traditional Name: acetic acid [2-acetoxy-4-[2-(tert-butylamino)acetyl]phenyl] ester; toluene; hydrochloride Formula: C23H30ClNO5 MolecularWeight: 435.941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C.Cl

Isomeric SMILES

CC1=CC=CC=C1.CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C.Cl

InChI

InChI=1S/C16H21NO5.C7H8.ClH/c1-10(18)21-14-7-6-12(8-15(14)22-11(2)19)13(20)9-17-16(3,4)5;1-7-5-3-2-4-6-7;/h6-8,17H,9H2,1-5H3;2-6H,1H3;1H