[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C28H22FN3O6 MolecularWeight: 515.489183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN3O6/c29-19-8-5-16(6-9-19)27(35)32-23(12-18-13-30-21-4-2-1-3-20(18)21)28(36)38-14-24(33)17-7-10-25-22(11-17)31-26(34)15-37-25/h1-11,13,23,30H,12,14-15H2,(H,31,34)(H,32,35)