[4-[2-(tert-butylamino)ethanoyl]-2-(4,4-dimethylpentanoyloxy)phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-(4,4-dimethylpentanoyloxy)phenyl] 4-methylbenzoate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-(4,4-dimethylpentanoyloxy)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-(4,4-dimethyl-1-oxopentoxy)phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-(4,4-dimethylpentanoyloxy)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-(4,4-dimethylpentanoyloxy)phenyl] ester Formula: C27H35NO5 MolecularWeight: 453.5705

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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)CNC(C)(C)C)OC(=O)CCC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)CCC(C)(C)C

InChI

InChI=1S/C27H35NO5/c1-18-8-10-19(11-9-18)25(31)33-22-13-12-20(21(29)17-28-27(5,6)7)16-23(22)32-24(30)14-15-26(2,3)4/h8-13,16,28H,14-15,17H2,1-7H3