ethyl (E)-3-[6-methoxy-2-(4-methoxyphenyl)-8-oxidanyl-1-oxidanylidene-isoquinolin-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[6-methoxy-2-(4-methoxyphenyl)-8-oxidanyl-1-oxidanylidene-isoquinolin-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[8-hydroxy-6-methoxy-2-(4-methoxyphenyl)-1-oxo-4-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[8-hydroxy-6-methoxy-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[8-hydroxy-6-methoxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-4-yl]prop-2-enoate Traditional Name: (E)-3-[8-hydroxy-1-keto-6-methoxy-2-(4-methoxyphenyl)-4-isoquinolyl]acrylic acid ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN(C(=O)C2=C(C=C(C=C12)OC)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN(C(=O)C2=C(C=C(C=C12)OC)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO6/c1-4-29-20(25)10-5-14-13-23(15-6-8-16(27-2)9-7-15)22(26)21-18(14)11-17(28-3)12-19(21)24/h5-13,24H,4H2,1-3H3/b10-5+