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

Systemtic Name: 4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]amino]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxo-butanoic acid CAS Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobutanoic acid IUPAC Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methyl-4-oxobutanoic acid Traditional Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-keto-2-methyl-butyric acid Formula: C29H27N3O3 MolecularWeight: 465.54298

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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/C29H27N3O3/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/h2-13,16-18,22,30-31H,14-15H2,1H3,(H,32,33)(H,34,35)