3-[3-tert-butyl-5-(1-indol-1-yl-2,4-dihydroindol-2-yl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-tert-butyl-5-(1-indol-1-yl-2,4-dihydroindol-2-yl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-4-hydroxy-5-(1-indol-1-yl-2,4-dihydroindol-2-yl)phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-4-hydroxy-5-[1-(1-indolyl)-2,4-dihydroindol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-4-hydroxy-5-(1-indol-1-yl-2,4-dihydroindol-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-(1-indol-1-yl-2,4-dihydroindol-2-yl)phenyl]propionic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)C2C=C3CC=CC=C3N2N4C=CC5=CC=CC=C54)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)C2C=C3CC=CC=C3N2N4C=CC5=CC=CC=C54)O

InChI

InChI=1S/C29H30N2O3/c1-29(2,3)23-17-19(12-13-27(32)33)16-22(28(23)34)26-18-21-9-5-7-11-25(21)31(26)30-15-14-20-8-4-6-10-24(20)30/h4-8,10-11,14-18,26,34H,9,12-13H2,1-3H3,(H,32,33)