ethyl 2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]amino]acetate CAS Name: 2-[[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazol-5-yl]amino]acetate Traditional Name: 2-[[2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCC(=O)OCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCC(=O)OCC

InChI

InChI=1S/C29H31N3O5/c1-3-5-14-26-31-24-16-15-22(30-18-27(33)36-4-2)17-25(24)32(26)19-21-12-9-13-23(28(21)37-29(34)35)20-10-7-6-8-11-20/h6-13,15-17,30H,3-5,14,18-19H2,1-2H3,(H,34,35)