ethyl 4-[[3-[[(4-ethoxycarbonylphenyl)amino]methyl]-2-oxidanylidene-benzimidazol-1-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[3-[[(4-ethoxycarbonylphenyl)amino]methyl]-2-oxidanylidene-benzimidazol-1-yl]methylamino]benzoate Openeye Name: ethyl 4-[[3-[(4-ethoxycarbonylanilino)methyl]-2-oxo-benzimidazol-1-yl]methylamino]benzoate CAS Name: 4-[[3-[(4-ethoxycarbonylanilino)methyl]-2-oxo-1-benzimidazolyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-ethoxycarbonylanilino)methyl]-2-oxobenzimidazol-1-yl]methylamino]benzoate Traditional Name: 4-[[3-[(4-carbethoxyanilino)methyl]-2-keto-benzimidazol-1-yl]methylamino]benzoic acid ethyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCN2C3=CC=CC=C3N(C2=O)CNC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCN2C3=CC=CC=C3N(C2=O)CNC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C27H28N4O5/c1-3-35-25(32)19-9-13-21(14-10-19)28-17-30-23-7-5-6-8-24(23)31(27(30)34)18-29-22-15-11-20(12-16-22)26(33)36-4-2/h5-16,28-29H,3-4,17-18H2,1-2H3