2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H22FN3O5 MolecularWeight: 475.468383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H22FN3O5/c1-16-8-7-12-19-22(18-11-5-6-13-20(18)27)28-24(25(33)30(23(16)19)14-21(31)32)29-26(34)35-15-17-9-3-2-4-10-17/h2-13,24H,14-15H2,1H3,(H,29,34)(H,31,32)