(4Z)-2-phenethyl-4-[(3,4,5-trimethoxyphenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-2-phenethyl-4-[(3,4,5-trimethoxyphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-phenethyl-4-[(3,4,5-trimethoxyphenyl)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-phenethyl-4-[(3,4,5-trimethoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-phenethyl-4-[(3,4,5-trimethoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-phenethyl-4-(3,4,5-trimethoxybenzylidene)isoquinoline-1,3-quinone Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO5/c1-31-23-16-19(17-24(32-2)25(23)33-3)15-22-20-11-7-8-12-21(20)26(29)28(27(22)30)14-13-18-9-5-4-6-10-18/h4-12,15-17H,13-14H2,1-3H3/b22-15-