2-[5-[(3-methylthiophen-2-yl)carbonyl-(phenylmethyl)amino]-2-propyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(3-methylthiophen-2-yl)carbonyl-(phenylmethyl)amino]-2-propyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[benzyl-(3-methylthiophene-2-carbonyl)amino]-2-propyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-[[(3-methyl-2-thiophenyl)-oxomethyl]-(phenylmethyl)amino]-2-propyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-[benzyl-(3-methylthiophene-2-carbonyl)amino]-2-propylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[benzyl-(3-methylthiophene-2-carbonyl)amino]-2-propyl-benzimidazol-1-yl]acetic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CC3=CC=CC=C3)C(=O)C4=C(C=CS4)C

Isomeric SMILES

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CC3=CC=CC=C3)C(=O)C4=C(C=CS4)C

InChI

InChI=1S/C25H25N3O3S/c1-3-7-22-26-20-14-19(10-11-21(20)28(22)16-23(29)30)27(15-18-8-5-4-6-9-18)25(31)24-17(2)12-13-32-24/h4-6,8-14H,3,7,15-16H2,1-2H3,(H,29,30)