2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C25H20FN3O5 MolecularWeight: 461.441803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)CC(=O)O

InChI

InChI=1S/C25H20FN3O5/c26-19-12-6-4-10-17(19)22-18-11-5-7-13-20(18)29(14-21(30)31)24(32)23(27-22)28-25(33)34-15-16-8-2-1-3-9-16/h1-13,23H,14-15H2,(H,28,33)(H,30,31)