4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C24H29NO3/c1-6-25(7-2)21-14-13-19(16-20(21)24(3,4)5)22(26)15-10-17-8-11-18(12-9-17)23(27)28/h8-9,11-14,16,22,26H,6-7H2,1-5H3,(H,27,28)