5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid

Systemtic Name: 5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid Openeye Name: 5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid CAS Name: 5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]-2-furancarboxylic acid IUPAC Name: 5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid Traditional Name: 5-[(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)oxy]-2-furoic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=C2C1=C3C(=N2)CCCC3(C)C)OC4=CC=C(O4)C(=O)O

Isomeric SMILES

CCCCCCCCC1C=CC(=C2C1=C3C(=N2)CCCC3(C)C)OC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C27H35NO4/c1-4-5-6-7-8-9-11-18-13-14-20(31-22-16-15-21(32-22)26(29)30)25-23(18)24-19(28-25)12-10-17-27(24,2)3/h13-16,18H,4-12,17H2,1-3H3,(H,29,30)