[2-[(3-methylimidazol-4-yl)methyl]-3-[(4-methylphenyl)methoxycarbonyl]pentyl] benzoate

Systemtic Name: [2-[(3-methylimidazol-4-yl)methyl]-3-[(4-methylphenyl)methoxycarbonyl]pentyl] benzoate Openeye Name: [2-[(3-methylimidazol-4-yl)methyl]-3-(p-tolylmethoxycarbonyl)pentyl] benzoate CAS Name: benzoic acid [2-[(3-methyl-4-imidazolyl)methyl]-3-[(4-methylphenyl)methoxy-oxomethyl]pentyl] ester IUPAC Name: [2-[(3-methylimidazol-4-yl)methyl]-3-[(4-methylphenyl)methoxycarbonyl]pentyl] benzoate Traditional Name: benzoic acid [3-(4-methylbenzyl)oxycarbonyl-2-[(3-methylimidazol-4-yl)methyl]pentyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)COC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(CC1=CN=CN1C)COC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C26H30N2O4/c1-4-24(26(30)31-16-20-12-10-19(2)11-13-20)22(14-23-15-27-18-28(23)3)17-32-25(29)21-8-6-5-7-9-21/h5-13,15,18,22,24H,4,14,16-17H2,1-3H3