[2-(2-methylpropanoyloxy)-5-[2-(phenylmethoxycarbonylamino)ethanoyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-(2-methylpropanoyloxy)-5-[2-(phenylmethoxycarbonylamino)ethanoyl]phenyl] 4-methylbenzoate Openeye Name: [5-[2-(benzyloxycarbonylamino)acetyl]-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(2-methyl-1-oxopropoxy)-5-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]phenyl] ester IUPAC Name: [2-(2-methylpropanoyloxy)-5-[2-(phenylmethoxycarbonylamino)acetyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-[2-(benzyloxycarbonylamino)acetyl]-2-isobutyryloxy-phenyl] ester Formula: C28H27NO7 MolecularWeight: 489.51648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CNC(=O)OCC3=CC=CC=C3)OC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)CNC(=O)OCC3=CC=CC=C3)OC(=O)C(C)C

InChI

InChI=1S/C28H27NO7/c1-18(2)26(31)35-24-14-13-22(15-25(24)36-27(32)21-11-9-19(3)10-12-21)23(30)16-29-28(33)34-17-20-7-5-4-6-8-20/h4-15,18H,16-17H2,1-3H3,(H,29,33)