4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoyl-(phenylmethyl)amino]benzoic acid

Systemtic Name: 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoyl-(phenylmethyl)amino]benzoic acid Openeye Name: 4-[benzyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]benzoic acid CAS Name: 4-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxoethyl]-(phenylmethyl)amino]benzoic acid IUPAC Name: 4-[benzyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]benzoic acid Traditional Name: 4-[benzyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]benzoic acid Formula: C31H26N2O5 MolecularWeight: 506.54854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)O)C(=O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)O)C(=O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H26N2O5/c34-29(33(19-21-8-2-1-3-9-21)23-16-14-22(15-17-23)30(35)36)18-32-31(37)38-20-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h1-17,28H,18-20H2,(H,32,37)(H,35,36)