(phenylmethyl) 2-azanyl-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate

Systemtic Name: (phenylmethyl) 2-azanyl-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: benzyl 2-amino-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-oxo-ethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: 2-amino-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: 2-amino-3-[2-[2-(1H-benzimidazol-2-ylamino)-2-keto-ethyl]-3-keto-4H-1,4-benzoxazin-6-yl]propionic acid benzyl ester Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)NC4=NC5=CC=CC=C5N4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)NC4=NC5=CC=CC=C5N4)N

InChI

InChI=1S/C27H25N5O5/c28-18(26(35)36-15-16-6-2-1-3-7-16)12-17-10-11-22-21(13-17)29-25(34)23(37-22)14-24(33)32-27-30-19-8-4-5-9-20(19)31-27/h1-11,13,18,23H,12,14-15,28H2,(H,29,34)(H2,30,31,32,33)