(4-nitrophenyl) 2-[phenylmethoxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino]ethanoate

Systemtic Name: (4-nitrophenyl) 2-[phenylmethoxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino]ethanoate Openeye Name: (4-nitrophenyl) 2-[benzyloxycarbonyl-[4-(benzyloxycarbonylamino)butyl]amino]acetate CAS Name: 2-[phenylmethoxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino]acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[phenylmethoxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino]acetate Traditional Name: 2-[4-(benzyloxycarbonylamino)butyl-carbobenzoxy-amino]acetic acid (4-nitrophenyl) ester Formula: C28H29N3O8 MolecularWeight: 535.54516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCN(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCN(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O8/c32-26(39-25-15-13-24(14-16-25)31(35)36)19-30(28(34)38-21-23-11-5-2-6-12-23)18-8-7-17-29-27(33)37-20-22-9-3-1-4-10-22/h1-6,9-16H,7-8,17-21H2,(H,29,33)