4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2-(m-tolyl)isoquinoline-1,3-dione CAS Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4-(4-isoamoxy-3-methoxy-benzylidene)-2-(m-tolyl)isoquinoline-1,3-quinone Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)OCCC(C)C)OC)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)OCCC(C)C)OC)C2=O

InChI

InChI=1S/C29H29NO4/c1-19(2)14-15-34-26-13-12-21(18-27(26)33-4)17-25-23-10-5-6-11-24(23)28(31)30(29(25)32)22-9-7-8-20(3)16-22/h5-13,16-19H,14-15H2,1-4H3