methyl 2-[cyclohexylmethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[cyclohexylmethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]benzoate Openeye Name: methyl 2-[cyclohexylmethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]benzoate CAS Name: 2-[[cyclohexylmethyl-[(1-methyl-2-imidazolyl)methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[cyclohexylmethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]benzoate Traditional Name: 2-[cyclohexylmethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]benzoic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CC2CCCCC2)C(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN(CC2CCCCC2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-23-13-12-22-19(23)15-24(14-16-8-4-3-5-9-16)20(25)17-10-6-7-11-18(17)21(26)27-2/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3