ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-2,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-2,6-dimethyl-pyridine-3-carboxylate Openeye Name: ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 5-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-2,6-dimethyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethyl-nicotinic acid ethyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23N3O3/c1-4-26-19(24)17-11-18(14(3)21-13(17)2)22-20(25)23-10-9-15-7-5-6-8-16(15)12-23/h5-8,11H,4,9-10,12H2,1-3H3,(H,22,25)