5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethyloxy)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethyloxy)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]-2-thenoic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(S3)C(=O)O)OCCO)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(S3)C(=O)O)OCCO)C(C)(C)C

InChI

InChI=1S/C27H33NO4S/c1-6-28(7-2)22-10-8-18(17-21(22)27(3,4)5)20-16-19(9-11-23(20)32-15-14-29)24-12-13-25(33-24)26(30)31/h8-13,16-17,29H,6-7,14-15H2,1-5H3,(H,30,31)