ethyl (3S)-3-[2-(7-morpholin-4-yl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl (3S)-3-[2-(7-morpholin-4-yl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl (3S)-3-[[2-(7-morpholino-1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[2-[7-(4-morpholinyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-(7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[2-(1-keto-7-morpholino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CN2CCC3=C(C2=O)C=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CN=CC=C1)NC(=O)CN2CCC3=C(C2=O)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H30N4O5/c1-2-34-24(31)15-22(19-4-3-8-26-16-19)27-23(30)17-29-9-7-18-5-6-20(14-21(18)25(29)32)28-10-12-33-13-11-28/h3-6,8,14,16,22H,2,7,9-13,15,17H2,1H3,(H,27,30)/t22-/m0/s1