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

Systemtic Name: ethyl 3-[[7-(pyridin-4-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[7-[[oxo(pyridin-4-yl)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate Traditional Name: 3-[(7-isonicotinamido-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=NC=C3

Isomeric SMILES

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

InChI

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