N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[3-(trifluoromethyl)anilino]ethyl]-4-pyren-1-yl-butyramide Formula: C30H25F3N2O3 MolecularWeight: 518.52631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C30H25F3N2O3/c31-30(32,33)22-7-3-8-23(16-22)34-29(38)25(17-36)35-26(37)9-2-4-18-10-11-21-13-12-19-5-1-6-20-14-15-24(18)28(21)27(19)20/h1,3,5-8,10-16,25,36H,2,4,9,17H2,(H,34,38)(H,35,37)/t25-/m0/s1