2-[9H-fluoren-9-ylmethoxycarbonyl-[(4-methoxy-2-oxidanyl-phenyl)methyl]amino]ethanoic acid hydrate

Systemtic Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[(4-methoxy-2-oxidanyl-phenyl)methyl]amino]ethanoic acid hydrate Openeye Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxy-phenyl)methyl]amino]acetic acid hydrate CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetic acid hydrate IUPAC Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetic acid hydrate Traditional Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-(2-hydroxy-4-methoxy-benzyl)amino]acetic acid hydrate Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O.O

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O.O

InChI

InChI=1S/C25H23NO6.H2O/c1-31-17-11-10-16(23(27)12-17)13-26(14-24(28)29)25(30)32-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22;/h2-12,22,27H,13-15H2,1H3,(H,28,29);1H2