[4-[2-(tert-butylamino)propanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate hydrochloride

Systemtic Name: [4-[2-(tert-butylamino)propanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate hydrochloride Openeye Name: [4-[2-(tert-butylamino)propanoyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxopropyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester hydrochloride IUPAC Name: [4-[2-(tert-butylamino)propanoyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)propanoyl]-2-p-toluoyloxy-phenyl] ester hydrochloride Formula: C29H32ClNO5 MolecularWeight: 510.02108

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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)C(C)NC(C)(C)C)OC(=O)C3=CC=C(C=C3)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO5.ClH/c1-18-7-11-21(12-8-18)27(32)34-24-16-15-23(26(31)20(3)30-29(4,5)6)17-25(24)35-28(33)22-13-9-19(2)10-14-22;/h7-17,20,30H,1-6H3;1H