(E)-4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]amino]-3-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]amino]-3-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-3-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-3-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-keto-3-methyl-but-2-enoic acid Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54

Isomeric SMILES

C/C(=C\C(=O)O)/C(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H25N3O3/c1-18(14-28(33)34)29(35)32-25-11-5-2-8-19(25)15-22(23-16-30-26-12-6-3-9-20(23)26)24-17-31-27-13-7-4-10-21(24)27/h2-14,16-17,22,30-31H,15H2,1H3,(H,32,35)(H,33,34)/b18-14+