(3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Systemtic Name: (3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Openeye Name: (3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate CAS Name: (3S)-4-(3,4-dichlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoate IUPAC Name: (3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyrate Formula: C25H20Cl2NO4- MolecularWeight: 469.3366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=C(C=C4)Cl)Cl)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)Cl)Cl)CC(=O)[O-]

InChI

InChI=1S/C25H21Cl2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/p-1/t16-/m0/s1