4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[3,5,5-trimethyl-8-(2-methylbutylamino)-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

Isomeric SMILES

CCC(C)CNC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

InChI

InChI=1S/C27H33NO2/c1-7-17(2)16-28-25-12-13-27(5,6)24-14-18(3)22(15-23(24)25)19(4)20-8-10-21(11-9-20)26(29)30/h8-12,14-15,17,28H,4,7,13,16H2,1-3,5-6H3,(H,29,30)