3-ethoxycarbonyl-2-[(1-methylindol-3-yl)methylidene]-4,4-diphenyl-but-3-enoic acid

Systemtic Name: 3-ethoxycarbonyl-2-[(1-methylindol-3-yl)methylidene]-4,4-diphenyl-but-3-enoic acid Openeye Name: 3-ethoxycarbonyl-2-[(1-methylindol-3-yl)methylene]-4,4-diphenyl-but-3-enoic acid CAS Name: 3-ethoxycarbonyl-2-[(1-methyl-3-indolyl)methylidene]-4,4-diphenyl-3-butenoic acid IUPAC Name: 3-ethoxycarbonyl-2-[(1-methylindol-3-yl)methylidene]-4,4-diphenylbut-3-enoic acid Traditional Name: 3-carbethoxy-2-[(1-methylindol-3-yl)methylene]-4,4-diphenyl-but-3-enoic acid Formula: C29H25NO4 MolecularWeight: 451.5131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=CC3=CN(C4=CC=CC=C43)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=CC3=CN(C4=CC=CC=C43)C)C(=O)O

InChI

InChI=1S/C29H25NO4/c1-3-34-29(33)27(26(20-12-6-4-7-13-20)21-14-8-5-9-15-21)24(28(31)32)18-22-19-30(2)25-17-11-10-16-23(22)25/h4-19H,3H2,1-2H3,(H,31,32)