3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-[(prop-2-enoxycarbonylamino)methyl]benzoic acid

Systemtic Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-[(prop-2-enoxycarbonylamino)methyl]benzoic acid Openeye Name: 3-[(allyloxycarbonylamino)methyl]-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid CAS Name: 3-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-5-[[[oxo(prop-2-enoxy)methyl]amino]methyl]benzoic acid IUPAC Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-[(prop-2-enoxycarbonylamino)methyl]benzoic acid Traditional Name: 3-[(allyloxycarbonylamino)methyl]-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NCC1=CC(=CC(=C1)C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C=CCOC(=O)NCC1=CC(=CC(=C1)C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H26N2O6/c1-2-11-35-27(33)29-15-18-12-19(14-20(13-18)26(31)32)16-30-28(34)36-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h2-10,12-14,25H,1,11,15-17H2,(H,29,33)(H,30,34)(H,31,32)