4-(1-adamantyl)-5-[[(4-methoxyphenyl)amino]methyl]thiophene-3-carboxylic acid

Systemtic Name: 4-(1-adamantyl)-5-[[(4-methoxyphenyl)amino]methyl]thiophene-3-carboxylic acid Openeye Name: 4-(1-adamantyl)-5-[(4-methoxyanilino)methyl]thiophene-3-carboxylic acid CAS Name: 4-(1-adamantyl)-5-[(4-methoxyanilino)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-(1-adamantyl)-5-[(4-methoxyanilino)methyl]thiophene-3-carboxylic acid Traditional Name: 4-(1-adamantyl)-5-(p-anisidinomethyl)-3-thenoic acid Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=C(C(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=C(C(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO3S/c1-27-18-4-2-17(3-5-18)24-12-20-21(19(13-28-20)22(25)26)23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,13-16,24H,6-12H2,1H3,(H,25,26)