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

Systemtic Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-oxidanyl-2-(thiophen-3-ylmethyl)propanoate Openeye Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-hydroxy-2-(3-thienylmethyl)propanoate CAS Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-3-hydroxy-2-(3-thiophenylmethyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-hydroxy-2-(thiophen-3-ylmethyl)propanoate Traditional Name: 3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-3-hydroxy-2-(3-thenyl)propionic acid methyl ester Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(CC3=CSC=C3)C(=O)OC)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(CC3=CSC=C3)C(=O)OC)O

InChI

InChI=1S/C23H27ClN2O3S/c1-3-4-9-21-25-13-20(26(21)14-17-7-5-6-8-19(17)24)22(27)18(23(28)29-2)12-16-10-11-30-15-16/h5-8,10-11,13,15,18,22,27H,3-4,9,12,14H2,1-2H3