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

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)N3CCCC3

InChI

InChI=1S/C24H27NO3/c1-24(2,3)20-16-19(11-12-21(20)25-14-4-5-15-25)22(26)13-8-17-6-9-18(10-7-17)23(27)28/h6-7,9-12,16,22,26H,4-5,14-15H2,1-3H3,(H,27,28)