ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-imidazole-4-carboxylate

Systemtic Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-imidazole-4-carboxylate Openeye Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-imidazole-4-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxoimidazole-4-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-keto-imidazole-4-carboxylic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)N=C1CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=NC(=O)N=C1CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N3O3/c1-2-22-15(20)14-13(17-16(21)18-14)10-19-8-7-11-5-3-4-6-12(11)9-19/h3-6H,2,7-10H2,1H3