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

Systemtic Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonyl-pentyl] pyridine-3-carboxylate Openeye Name: [3-benzyloxycarbonyl-2-[(3-methylimidazol-4-yl)methyl]pentyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3-methyl-4-imidazolyl)methyl]-3-phenylmethoxycarbonylpentyl] ester IUPAC Name: [2-[(3-methylimidazol-4-yl)methyl]-3-phenylmethoxycarbonylpentyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-carbobenzoxy-2-[(3-methylimidazol-4-yl)methyl]pentyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-3-22(24(29)30-15-18-8-5-4-6-9-18)20(12-21-14-26-17-27(21)2)16-31-23(28)19-10-7-11-25-13-19/h4-11,13-14,17,20,22H,3,12,15-16H2,1-2H3