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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CCC(C2=C1)(C)C)NCCC(C)C)C(=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=CCC(C2=C1)(C)C)NCCC(C)C)C(=C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H33NO2/c1-17(2)12-14-28-25-11-13-27(5,6)24-15-18(3)22(16-23(24)25)19(4)20-7-9-21(10-8-20)26(29)30/h7-11,15-17,28H,4,12-14H2,1-3,5-6H3,(H,29,30)