methanamine; methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxybenzoate

Systemtic Name: methanamine; methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxybenzoate Openeye Name: methanamine; methyl 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]benzoate CAS Name: 4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxybenzoic acid methyl ester; methanamine IUPAC Name: methanamine; methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxybenzoate Traditional Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]benzoic acid methyl ester; methylamine Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CN.COC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CN.COC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H21ClN2O3.CH5N/c1-26-21(25)17-5-10-19(11-6-17)27-20(14-24-13-12-23-15-24)9-4-16-2-7-18(22)8-3-16;1-2/h2-3,5-8,10-13,15,20H,4,9,14H2,1H3;2H2,1H3