3,5-bis[2-(phenylmethoxycarbonylamino)ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-(phenylmethoxycarbonylamino)ethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-(benzyloxycarbonylamino)acetyl]amino]benzoic acid CAS Name: 3,5-bis[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-(benzyloxycarbonylamino)acetyl]amino]benzoic acid Formula: C27H26N4O8 MolecularWeight: 534.51734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N4O8/c32-23(14-28-26(36)38-16-18-7-3-1-4-8-18)30-21-11-20(25(34)35)12-22(13-21)31-24(33)15-29-27(37)39-17-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,28,36)(H,29,37)(H,30,32)(H,31,33)(H,34,35)