methyl 2-[1H-imidazol-2-ylmethyl(phenethyl)carbamoyl]benzoate

Systemtic Name: methyl 2-[1H-imidazol-2-ylmethyl(phenethyl)carbamoyl]benzoate Openeye Name: methyl 2-[1H-imidazol-2-ylmethyl(phenethyl)carbamoyl]benzoate CAS Name: 2-[[1H-imidazol-2-ylmethyl(phenethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1H-imidazol-2-ylmethyl(phenethyl)carbamoyl]benzoate Traditional Name: 2-[1H-imidazol-2-ylmethyl(phenethyl)carbamoyl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N(CCC2=CC=CC=C2)CC3=NC=CN3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N(CCC2=CC=CC=C2)CC3=NC=CN3

InChI

InChI=1S/C21H21N3O3/c1-27-21(26)18-10-6-5-9-17(18)20(25)24(15-19-22-12-13-23-19)14-11-16-7-3-2-4-8-16/h2-10,12-13H,11,14-15H2,1H3,(H,22,23)