3-[5-(butylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid

Systemtic Name: 3-[5-(butylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 3-[5-(butylamino)benzothiophen-2-yl]-2-(4-isopropylphenyl)-2-methyl-propanoic acid CAS Name: 3-[5-(butylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 3-[5-(butylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 3-[5-(butylamino)benzothiophen-2-yl]-2-methyl-2-p-cumenyl-propionic acid Formula: C25H31NO2S MolecularWeight: 409.58414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC2=C(C=C1)SC(=C2)CC(C)(C3=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CCCCNC1=CC2=C(C=C1)SC(=C2)CC(C)(C3=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C25H31NO2S/c1-5-6-13-26-21-11-12-23-19(14-21)15-22(29-23)16-25(4,24(27)28)20-9-7-18(8-10-20)17(2)3/h7-12,14-15,17,26H,5-6,13,16H2,1-4H3,(H,27,28)