methyl 4-acetamido-3-[4-(phenylmethoxycarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 4-acetamido-3-[4-(phenylmethoxycarbonylamino)butanoylamino]benzoate Openeye Name: methyl 4-acetamido-3-[4-(benzyloxycarbonylamino)butanoylamino]benzoate CAS Name: 4-acetamido-3-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-[4-(phenylmethoxycarbonylamino)butanoylamino]benzoate Traditional Name: 4-acetamido-3-[4-(benzyloxycarbonylamino)butanoylamino]benzoic acid methyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6/c1-15(26)24-18-11-10-17(21(28)30-2)13-19(18)25-20(27)9-6-12-23-22(29)31-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,23,29)(H,24,26)(H,25,27)