[4-[2-(tert-butylamino)ethanoyl]-2-[(4-methylphenyl)carbonyloxymethyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-[(4-methylphenyl)carbonyloxymethyl]phenyl] 3-methylbenzoate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-[(4-methylbenzoyl)oxymethyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-[[(4-methylphenyl)-oxomethoxy]methyl]phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-[(4-methylbenzoyl)oxymethyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-(p-toluoyloxymethyl)phenyl] ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C29H31NO5/c1-19-9-11-21(12-10-19)27(32)34-18-24-16-22(25(31)17-30-29(3,4)5)13-14-26(24)35-28(33)23-8-6-7-20(2)15-23/h6-16,30H,17-18H2,1-5H3