[5-[(1Z)-1-(2-azanylimidazol-4-ylidene)-2-oxidanylidene-propyl]-2-methyl-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [5-[(1Z)-1-(2-azanylimidazol-4-ylidene)-2-oxidanylidene-propyl]-2-methyl-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [5-[(1Z)-1-(2-aminoimidazol-4-ylidene)-2-oxo-propyl]-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [5-[(1Z)-1-(2-amino-4-imidazolylidene)-2-oxopropyl]-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-[(1Z)-1-(2-aminoimidazol-4-ylidene)-2-oxopropyl]-2-methyl-4-oxochromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [5-[(1Z)-1-(2-aminoimidazol-4-ylidene)-2-keto-propyl]-4-keto-2-methyl-chromen-7-yl] ester Formula: C33H28N4O7 MolecularWeight: 592.59802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(O1)C=C(C=C2C(=C3C=NC(=N3)N)C(=O)C)OC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C2=C(O1)C=C(C=C2/C(=C/3\C=NC(=N3)N)/C(=O)C)OC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28N4O7/c1-19-13-27(39)30-24(29(20(2)38)26-17-35-32(34)36-26)15-23(16-28(30)43-19)44-31(40)25(14-21-9-5-3-6-10-21)37-33(41)42-18-22-11-7-4-8-12-22/h3-13,15-17,25H,14,18H2,1-2H3,(H2,34,36)(H,37,41)/b29-26+