[3-(5-azanyl-1H-imidazol-2-yl)-5-methyl-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-(5-azanyl-1H-imidazol-2-yl)-5-methyl-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(5-amino-1H-imidazol-2-yl)-5-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [3-(5-amino-1H-imidazol-2-yl)-5-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(5-amino-1H-imidazol-2-yl)-5-methyl-4-oxochromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [3-(5-amino-1H-imidazol-2-yl)-4-keto-5-methyl-chromen-7-yl] ester Formula: C30H26N4O6 MolecularWeight: 538.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC=C(N3)N)OC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC=C(N3)N)OC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H26N4O6/c1-18-12-21(14-24-26(18)27(35)22(17-38-24)28-32-15-25(31)34-28)40-29(36)23(13-19-8-4-2-5-9-19)33-30(37)39-16-20-10-6-3-7-11-20/h2-12,14-15,17,23H,13,16,31H2,1H3,(H,32,34)(H,33,37)