methyl 2-[2-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanoylamino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[2-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanoylamino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-[2-[[2-[5-(benzyloxycarbonylamino)-6-oxo-2-(3-pyridyl)pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[1-oxo-2-[[1-oxo-2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)-1-pyrimidinyl]ethyl]amino]-3-phenylpropyl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpyrimidin-1-yl]acetyl]amino]-3-phenylpropanoyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[2-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-(3-pyridyl)pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C37H30N6O8 MolecularWeight: 686.6695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=N2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN4C(=NC=C(C4=O)NC(=O)OCC5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=N2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN4C(=NC=C(C4=O)NC(=O)OCC5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C37H30N6O8/c1-49-36(47)25-14-15-30-27(18-25)41-34(51-30)32(45)28(17-23-9-4-2-5-10-23)40-31(44)21-43-33(26-13-8-16-38-19-26)39-20-29(35(43)46)42-37(48)50-22-24-11-6-3-7-12-24/h2-16,18-20,28H,17,21-22H2,1H3,(H,40,44)(H,42,48)