3-[2-butyl-3-[(2-methoxycarbonyloxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-butyl-3-[(2-methoxycarbonyloxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-butyl-3-[(2-methoxycarbonyloxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[2-butyl-3-[(2-methoxycarbonyloxy-3-phenylphenyl)methyl]-5-benzimidazolyl]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[2-butyl-3-[(2-methoxycarbonyloxy-3-phenylphenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[2-butyl-3-(2-carbomethoxyoxy-3-phenyl-benzyl)benzimidazol-5-yl]-3-keto-2-methyl-propionic acid Formula: C30H30N2O6 MolecularWeight: 514.569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O6/c1-4-5-14-26-31-24-16-15-21(27(33)19(2)29(34)35)17-25(24)32(26)18-22-12-9-13-23(20-10-7-6-8-11-20)28(22)38-30(36)37-3/h6-13,15-17,19H,4-5,14,18H2,1-3H3,(H,34,35)