[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] butanoate

Systemtic Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] butanoate Openeye Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-7-methyl-benzimidazol-4-yl] butanoate CAS Name: butanoic acid [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-7-methyl-4-benzimidazolyl] ester IUPAC Name: [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-7-methylbenzimidazol-4-yl] butanoate Traditional Name: butyric acid [2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)-7-methyl-benzimidazol-4-yl] ester Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OC(=O)CCC)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)OC(=O)CCC)C

InChI

InChI=1S/C30H32N2O5/c1-4-6-16-25-31-27-20(3)17-18-24(36-26(33)11-5-2)28(27)32(25)19-22-14-10-15-23(29(22)37-30(34)35)21-12-8-7-9-13-21/h7-10,12-15,17-18H,4-6,11,16,19H2,1-3H3,(H,34,35)