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

Systemtic Name: 4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-4-keto-butyric acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)NC(=O)CCC(=O)O

InChI

InChI=1S/C28H25N3O3/c32-27(13-14-28(33)34)31-24-10-4-1-7-18(24)15-21(22-16-29-25-11-5-2-8-19(22)25)23-17-30-26-12-6-3-9-20(23)26/h1-12,16-17,21,29-30H,13-15H2,(H,31,32)(H,33,34)