6-(1,1,2-trimethylbenzo[e]indol-8-yl)oxyhexanoic acid

Systemtic Name: 6-(1,1,2-trimethylbenzo[e]indol-8-yl)oxyhexanoic acid Openeye Name: 6-(1,1,2-trimethylbenzo[e]indol-8-yl)oxyhexanoic acid CAS Name: 6-[(1,1,2-trimethyl-8-benzo[e]indolyl)oxy]hexanoic acid IUPAC Name: 6-(1,1,2-trimethylbenzo[e]indol-8-yl)oxyhexanoic acid Traditional Name: 6-(1,1,2-trimethylbenz[e]indol-8-yl)oxyhexanoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C3=C(C=CC(=C3)OCCCCCC(=O)O)C=C2

Isomeric SMILES

CC1=NC2=C(C1(C)C)C3=C(C=CC(=C3)OCCCCCC(=O)O)C=C2

InChI

InChI=1S/C21H25NO3/c1-14-21(2,3)20-17-13-16(25-12-6-4-5-7-19(23)24)10-8-15(17)9-11-18(20)22-14/h8-11,13H,4-7,12H2,1-3H3,(H,23,24)