4-[4-(4-dimethylaminophenyl)-5-phenethyl-1,3-dihydroimidazol-2-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one; ethanoic acid

Systemtic Name: 4-[4-(4-dimethylaminophenyl)-5-phenethyl-1,3-dihydroimidazol-2-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one; ethanoic acid Openeye Name: acetic acid; 4-[4-(4-dimethylaminophenyl)-5-phenethyl-1,3-dihydroimidazol-2-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: acetic acid; 4-[4-(4-dimethylaminophenyl)-5-phenethyl-1,3-dihydroimidazol-2-ylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: acetic acid; 4-[4-(4-dimethylaminophenyl)-5-phenethyl-1,3-dihydroimidazol-2-ylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: acetic acid; 4-[4-(4-dimethylaminophenyl)-5-phenethyl-4-imidazolin-2-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN(C)C1=CC=C(C=C1)C2=C(NC(=C3C=C(C(=O)C(=C3)OC)OC)N2)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)O.CN(C)C1=CC=C(C=C1)C2=C(NC(=C3C=C(C(=O)C(=C3)OC)OC)N2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3.C2H4O2/c1-30(2)21-13-11-19(12-14-21)25-22(15-10-18-8-6-5-7-9-18)28-27(29-25)20-16-23(32-3)26(31)24(17-20)33-4;1-2(3)4/h5-9,11-14,16-17,28-29H,10,15H2,1-4H3;1H3,(H,3,4)