ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-prop-2-ynyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-prop-2-ynyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-prop-2-ynyl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-prop-2-ynylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-prop-2-ynylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-propargyl-amino]propionic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC#C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCN(CC#C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C25H25N5O3/c1-4-13-30(14-12-24(31)33-5-2)25(32)19-8-11-22-21(15-19)28-23(29(22)3)17-27-20-9-6-18(16-26)7-10-20/h1,6-11,15,27H,5,12-14,17H2,2-3H3