(3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Systemtic Name: (3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Openeye Name: (3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate CAS Name: (3S)-4-(2-cyanophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoate IUPAC Name: (3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyrate Formula: C26H21N2O4- MolecularWeight: 425.45594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CC(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C[C@@H](CC(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C#N

InChI

InChI=1S/C26H22N2O4/c27-15-18-8-2-1-7-17(18)13-19(14-25(29)30)28-26(31)32-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/p-1/t19-/m0/s1