4-[4-pyrrol-1-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butoxy]benzoic acid

Systemtic Name: 4-[4-pyrrol-1-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butoxy]benzoic acid Openeye Name: 4-[4-pyrrol-1-yl-2-(1,1,4,4-tetramethyltetralin-6-yl)butoxy]benzoic acid CAS Name: 4-[4-(1-pyrrolyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butoxy]benzoic acid IUPAC Name: 4-[4-pyrrol-1-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butoxy]benzoic acid Traditional Name: 4-[4-pyrrol-1-yl-2-(1,1,4,4-tetramethyltetralin-6-yl)butoxy]benzoic acid Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(CCN3C=CC=C3)COC4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(CCN3C=CC=C3)COC4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C29H35NO3/c1-28(2)14-15-29(3,4)26-19-22(9-12-25(26)28)23(13-18-30-16-5-6-17-30)20-33-24-10-7-21(8-11-24)27(31)32/h5-12,16-17,19,23H,13-15,18,20H2,1-4H3,(H,31,32)