[1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-ethoxycarbonylphenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(4-carbethoxyphenyl)carbamoyl]propyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5/c1-3-23(25(31)28-20-13-10-18(11-14-20)26(32)34-4-2)35-27(33)19-12-15-21-22(16-19)30-24(29-21)17-8-6-5-7-9-17/h5-16,23H,3-4H2,1-2H3,(H,28,31)(H,29,30)