(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]butanoate

Systemtic Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]butanoate Openeye Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]butanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[2-(trifluoromethyl)phenyl]butanoate IUPAC Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]butanoate Traditional Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]butyrate Formula: C26H21F3NO4- MolecularWeight: 468.44445

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C26H22F3NO4/c27-26(28,29)23-12-6-1-7-16(23)13-17(14-24(31)32)30-25(33)34-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,30,33)(H,31,32)/p-1/t17-/m0/s1