3-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[(3S)-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]propionic acid Formula: C19H17FN2O3 MolecularWeight: 340.348283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)CCC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)CCC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C19H17FN2O3/c1-22-16-9-5-3-7-13(16)18(12-6-2-4-8-14(12)20)21-15(19(22)25)10-11-17(23)24/h2-9,15H,10-11H2,1H3,(H,23,24)/t15-/m0/s1