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

Systemtic Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonyl-pentyl] benzoate Openeye Name: [3-benzyloxycarbonyl-2-[(3-methylimidazol-4-yl)methyl]pentyl] benzoate CAS Name: benzoic acid [2-[(3-methyl-4-imidazolyl)methyl]-3-phenylmethoxycarbonylpentyl] ester IUPAC Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonylpentyl] benzoate Traditional Name: benzoic acid [3-carbobenzoxy-2-[(3-methylimidazol-4-yl)methyl]pentyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-3-23(25(29)30-16-19-10-6-4-7-11-19)21(14-22-15-26-18-27(22)2)17-31-24(28)20-12-8-5-9-13-20/h4-13,15,18,21,23H,3,14,16-17H2,1-2H3