ethyl 2-[2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(4-butylanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(4-butylanilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC(C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC(C)C(=O)OCC

InChI

InChI=1S/C26H30N2O5/c1-4-6-8-19-11-13-20(14-12-19)27-24(29)17-28-16-15-21-22(25(28)30)9-7-10-23(21)33-18(3)26(31)32-5-2/h7,9-16,18H,4-6,8,17H2,1-3H3,(H,27,29)