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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

Isomeric SMILES

CCC(C)NC1=CCC(C2=CC(=C(C=C12)C(=C)C3=CC=C(C=C3)C(=O)O)C)(C)C

InChI

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