ethyl 2-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-4-30-23(29)15(3)31-20-7-5-6-18-17(20)10-11-26(22(18)28)13-21(27)25-16-9-8-14(2)19(24)12-16/h5-12,15H,4,13H2,1-3H3,(H,25,27)