[4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 3-methylbenzoate hydrochloride

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-oxidanyl-phenyl] 3-methylbenzoate hydrochloride Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] 3-methylbenzoate hydrochloride CAS Name: 3-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-hydroxyphenyl] ester hydrochloride IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 3-methylbenzoate hydrochloride Traditional Name: 3-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-hydroxy-phenyl] ester hydrochloride Formula: C20H24ClNO4 MolecularWeight: 377.86186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)O.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)O.Cl

InChI

InChI=1S/C20H23NO4.ClH/c1-13-6-5-7-15(10-13)19(24)25-18-9-8-14(11-16(18)22)17(23)12-21-20(2,3)4;/h5-11,21-22H,12H2,1-4H3;1H