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

Systemtic Name: 3-[(3S)-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[(3S)-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[(3S)-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[(3S)-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C18H15FN2O3 MolecularWeight: 326.321703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2)CCC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=N[C@H](C(=O)N2)CCC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C18H15FN2O3/c19-13-7-3-1-5-11(13)17-12-6-2-4-8-14(12)21-18(24)15(20-17)9-10-16(22)23/h1-8,15H,9-10H2,(H,21,24)(H,22,23)/t15-/m0/s1