(2-methoxyphenyl) 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyl-octanoate

Systemtic Name: (2-methoxyphenyl) 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyl-octanoate Openeye Name: (2-methoxyphenyl) 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyl-octanoate CAS Name: 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyloctanoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyloctanoate Traditional Name: 4-(4-dimethylaminophenyl)-5-(1H-imidazol-2-yl)-4-methyl-caprylic acid (2-methoxyphenyl) ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=CN1)C(C)(CCC(=O)OC2=CC=CC=C2OC)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCC(C1=NC=CN1)C(C)(CCC(=O)OC2=CC=CC=C2OC)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H35N3O3/c1-6-9-22(26-28-18-19-29-26)27(2,20-12-14-21(15-13-20)30(3)4)17-16-25(31)33-24-11-8-7-10-23(24)32-5/h7-8,10-15,18-19,22H,6,9,16-17H2,1-5H3,(H,28,29)