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

Systemtic Name: ethyl 2-[2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(4-butylanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(4-butylanilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OCC

InChI

InChI=1S/C25H28N2O5/c1-3-5-7-18-10-12-19(13-11-18)26-23(28)16-27-15-14-20-21(25(27)30)8-6-9-22(20)32-17-24(29)31-4-2/h6,8-15H,3-5,7,16-17H2,1-2H3,(H,26,28)