ethyl (2E)-7-methyl-2-[2-oxidanylidene-4-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pyridin-3-ylidene]-1,3-dihydrobenzimidazole-5-carboximidate

Systemtic Name: ethyl (2E)-7-methyl-2-[2-oxidanylidene-4-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pyridin-3-ylidene]-1,3-dihydrobenzimidazole-5-carboximidate Openeye Name: ethyl (2E)-2-[4-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboximidate CAS Name: (2E)-2-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboximidic acid ethyl ester IUPAC Name: ethyl (2E)-2-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboximidate Traditional Name: (2E)-2-[4-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboximidic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC(=C2C(=C1)NC(=C3C(=CC=NC3=O)NC(CC4=CC=CC=C4)CO)N2)C

Isomeric SMILES

CCOC(=N)C1=CC(=C2C(=C1)N/C(=C\3/C(=CC=NC3=O)N[C@@H](CC4=CC=CC=C4)CO)/N2)C

InChI

InChI=1S/C25H27N5O3/c1-3-33-23(26)17-11-15(2)22-20(13-17)29-24(30-22)21-19(9-10-27-25(21)32)28-18(14-31)12-16-7-5-4-6-8-16/h4-11,13,18,26,28-31H,3,12,14H2,1-2H3/b24-21+,26-23?/t18-/m0/s1