ethyl 3-[(3-acetyloxy-2-methyl-phenyl)carbonylamino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate

Systemtic Name: ethyl 3-[(3-acetyloxy-2-methyl-phenyl)carbonylamino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Openeye Name: ethyl 3-[(3-acetoxy-2-methyl-benzoyl)amino]-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoate CAS Name: 3-[[(3-acetyloxy-2-methylphenyl)-oxomethyl]amino]-4-[2-(2-pyridinyl)-1-benzimidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-acetyloxy-2-methylbenzoyl)amino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Traditional Name: 3-[(3-acetoxy-2-methyl-benzoyl)amino]-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoic acid ethyl ester Formula: C31H26N4O5 MolecularWeight: 534.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)C5=C(C(=CC=C5)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)C5=C(C(=CC=C5)OC(=O)C)C

InChI

InChI=1S/C31H26N4O5/c1-4-39-31(38)21-15-16-27(25(18-21)34-30(37)22-10-9-14-28(19(22)2)40-20(3)36)35-26-13-6-5-11-23(26)33-29(35)24-12-7-8-17-32-24/h5-18H,4H2,1-3H3,(H,34,37)