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

Systemtic Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-oxidanyl-methyl]-3-phenyl-3-thiophen-2-yl-propanoate Openeye Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-hydroxy-methyl]-3-phenyl-3-(2-thienyl)propanoate CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-hydroxymethyl]-3-phenyl-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-hydroxymethyl]-3-phenyl-3-thiophen-2-ylpropanoate Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-hydroxy-methyl]-3-phenyl-3-(2-thienyl)propionic acid methyl ester Formula: C29H31ClN2O3S MolecularWeight: 523.08604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(C(C3=CC=CC=C3)C4=CC=CS4)C(=O)OC)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(C(C3=CC=CC=C3)C4=CC=CS4)C(=O)OC)O

InChI

InChI=1S/C29H31ClN2O3S/c1-3-4-16-25-31-18-23(32(25)19-21-13-8-9-14-22(21)30)28(33)27(29(34)35-2)26(24-15-10-17-36-24)20-11-6-5-7-12-20/h5-15,17-18,26-28,33H,3-4,16,19H2,1-2H3