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

Systemtic Name: 5-[(7,7-dimethyl-4-octyl-4,5,6,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid Openeye Name: 5-[(7,7-dimethyl-4-octyl-4,5,6,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid CAS Name: 5-[(7,7-dimethyl-4-octyl-4,5,6,8-tetrahydrocarbazol-1-yl)oxy]-2-furancarboxylic acid IUPAC Name: 5-[(7,7-dimethyl-4-octyl-4,5,6,8-tetrahydrocarbazol-1-yl)oxy]furan-2-carboxylic acid Traditional Name: 5-[(7,7-dimethyl-4-octyl-4,5,6,8-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=C3CCC(CC3=N2)(C)C)OC4=CC=C(O4)C(=O)O

Isomeric SMILES

CCCCCCCCC1C=CC(=C2C1=C3CCC(CC3=N2)(C)C)OC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C27H35NO4/c1-4-5-6-7-8-9-10-18-11-12-21(31-23-14-13-22(32-23)26(29)30)25-24(18)19-15-16-27(2,3)17-20(19)28-25/h11-14,18H,4-10,15-17H2,1-3H3,(H,29,30)