ethyl (3S)-3-[2-[7-(1H-imidazol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl (3S)-3-[2-[7-(1H-imidazol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl (3S)-3-[[2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-[7-(1H-imidazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[2-[7-(1H-imidazol-5-yl)-1-keto-3,4-dihydroisoquinolin-2-yl]acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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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)C4=CN=CN4

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CN=CC=C1)NC(=O)CN2CCC3=C(C2=O)C=C(C=C3)C4=CN=CN4

InChI

InChI=1S/C24H25N5O4/c1-2-33-23(31)11-20(18-4-3-8-25-12-18)28-22(30)14-29-9-7-16-5-6-17(10-19(16)24(29)32)21-13-26-15-27-21/h3-6,8,10,12-13,15,20H,2,7,9,11,14H2,1H3,(H,26,27)(H,28,30)/t20-/m0/s1