(E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)indolin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(2,6-dimethyl-1H-indol-3-yl)indolin-1-yl]-4-keto-but-2-enoic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3C(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H20N2O3/c1-13-7-8-16-17(11-13)23-14(2)22(16)19-12-15-5-3-4-6-18(15)24(19)20(25)9-10-21(26)27/h3-11,19,23H,12H2,1-2H3,(H,26,27)/b10-9+