methyl 2-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]pentanoate

Systemtic Name: methyl 2-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]pentanoate Openeye Name: methyl 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]pentanoate CAS Name: 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]pentanoate Traditional Name: 2-[4-[(2-butyl-1-chloro-5-methylol-imidazol-4-yl)methyl]phenoxy]valeric acid methyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(CCC)C(=O)OC

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(CCC)C(=O)OC

InChI

InChI=1S/C21H29ClN2O4/c1-4-6-8-20-23-17(18(14-25)24(20)22)13-15-9-11-16(12-10-15)28-19(7-5-2)21(26)27-3/h9-12,19,25H,4-8,13-14H2,1-3H3