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

Systemtic Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-oxidanyl-methyl]-3-thiophen-2-yl-heptanoate Openeye Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-hydroxy-methyl]-3-(2-thienyl)heptanoate CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-hydroxymethyl]-3-thiophen-2-ylheptanoic acid methyl ester IUPAC Name: methyl 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-hydroxymethyl]-3-thiophen-2-ylheptanoate Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-hydroxy-methyl]-3-(2-thienyl)enanthic acid methyl ester Formula: C27H35ClN2O3S MolecularWeight: 503.0964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(C(CCCC)C3=CC=CS3)C(=O)OC)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(C(CCCC)C3=CC=CS3)C(=O)OC)O

InChI

InChI=1S/C27H35ClN2O3S/c1-4-6-12-20(23-14-10-16-34-23)25(27(32)33-3)26(31)22-17-29-24(15-7-5-2)30(22)18-19-11-8-9-13-21(19)28/h8-11,13-14,16-17,20,25-26,31H,4-7,12,15,18H2,1-3H3