3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid hydrate

Systemtic Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid hydrate Openeye Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-isopropylphenyl)propanoic acid hydrate CAS Name: 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-propan-2-ylphenyl)propanoic acid hydrate IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid hydrate Traditional Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-p-cumenyl-propionic acid hydrate Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O

InChI

InChI=1S/C27H27NO4.H2O/c1-17(2)18-11-13-19(14-12-18)25(15-26(29)30)28-27(31)32-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24;/h3-14,17,24-25H,15-16H2,1-2H3,(H,28,31)(H,29,30);1H2