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

Systemtic Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonyl-pentyl] 3-chloranylbenzoate Openeye Name: [3-benzyloxycarbonyl-2-[(3-methylimidazol-4-yl)methyl]pentyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(3-methyl-4-imidazolyl)methyl]-3-phenylmethoxycarbonylpentyl] ester IUPAC Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonylpentyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [3-carbobenzoxy-2-[(3-methylimidazol-4-yl)methyl]pentyl] ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O4/c1-3-23(25(30)31-15-18-8-5-4-6-9-18)20(13-22-14-27-17-28(22)2)16-32-24(29)19-10-7-11-21(26)12-19/h4-12,14,17,20,23H,3,13,15-16H2,1-2H3