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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O3/c1-18(29(34)35)14-28(33)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,32,33)(H,34,35)