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

Systemtic Name: 4-[1-[8-(butylamino)-3,5,5-trimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[8-(butylamino)-3,5,5-trimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[8-(butylamino)-3,5,5-trimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[8-(butylamino)-3,5,5-trimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[8-(butylamino)-3,5,5-trimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

Isomeric SMILES

CCCCNC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

InChI

InChI=1S/C26H31NO2/c1-6-7-14-27-24-12-13-26(4,5)23-15-17(2)21(16-22(23)24)18(3)19-8-10-20(11-9-19)25(28)29/h8-12,15-16,27H,3,6-7,13-14H2,1-2,4-5H3,(H,28,29)