2-[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)indol-5-yl]benzoic acid

Systemtic Name: 2-[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)indol-5-yl]benzoic acid Openeye Name: 2-[1-(1-carboxyheptyl)indol-5-yl]benzoic acid CAS Name: 2-[1-(1-hydroxy-1-oxooctan-2-yl)-5-indolyl]benzoic acid IUPAC Name: 2-[1-(1-hydroxy-1-oxooctan-2-yl)indol-5-yl]benzoic acid Traditional Name: 2-[1-(1-carboxyheptyl)indol-5-yl]benzoic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=CC2=C1C=CC(=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=CC2=C1C=CC(=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25NO4/c1-2-3-4-5-10-21(23(27)28)24-14-13-17-15-16(11-12-20(17)24)18-8-6-7-9-19(18)22(25)26/h6-9,11-15,21H,2-5,10H2,1H3,(H,25,26)(H,27,28)