ethyl 3-[[7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[7-[[oxo(2-pyridinyl)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate Traditional Name: 3-[(7-picolinamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propionic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H24N4O4/c1-2-29-19(26)8-11-23-21(28)25-12-9-15-6-7-17(13-16(15)14-25)24-20(27)18-5-3-4-10-22-18/h3-7,10,13H,2,8-9,11-12,14H2,1H3,(H,23,28)(H,24,27)