methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-4-yl]-3-oxidanyl-2-(thiophen-2-ylmethyl)propanoate

Systemtic Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-4-yl]-3-oxidanyl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-4-yl]-3-hydroxy-2-(2-thienylmethyl)propanoate CAS Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-benzimidazolyl]-3-hydroxy-2-(thiophen-2-ylmethyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-4-yl]-3-hydroxy-2-(thiophen-2-ylmethyl)propanoate Traditional Name: 3-[2-butyl-3-(2-chlorobenzyl)benzimidazol-4-yl]-3-hydroxy-2-(2-thenyl)propionic acid methyl ester Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=CC=C3Cl)C(C(CC4=CC=CS4)C(=O)OC)O

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=CC=C3Cl)C(C(CC4=CC=CS4)C(=O)OC)O

InChI

InChI=1S/C27H29ClN2O3S/c1-3-4-14-24-29-23-13-7-11-20(25(23)30(24)17-18-9-5-6-12-22(18)28)26(31)21(27(32)33-2)16-19-10-8-15-34-19/h5-13,15,21,26,31H,3-4,14,16-17H2,1-2H3