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4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid

4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name:4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid
Openeye Name:4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid
CAS Name:4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid
IUPAC Name:4-[3-[3-tert-butyl-2-(diethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid
Traditional Name:4-[3-[3-tert-butyl-2-(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=CC=C1C(C)(C)C)C(C#CC2=CC=C(C=C2)C(=O)O)O


Isomeric SMILES

CCN(CC)C1=C(C=CC=C1C(C)(C)C)C(C#CC2=CC=C(C=C2)C(=O)O)O


InChI

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


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