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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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