13-[3-(dimethylamino)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-ynoic acid

Systemtic Name: 13-[3-(dimethylamino)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-ynoic acid Openeye Name: 8-acetyl-13-[3-(dimethylamino)phenoxy]-12-hydroxy-tridec-5-ynoic acid CAS Name: 8-acetyl-13-[3-(dimethylamino)phenoxy]-12-hydroxy-5-tridecynoic acid IUPAC Name: 8-acetyl-13-[3-(dimethylamino)phenoxy]-12-hydroxytridec-5-ynoic acid Traditional Name: 8-acetyl-13-[3-(dimethylamino)phenoxy]-12-hydroxy-tridec-5-ynoic acid Formula: C23H33NO5 MolecularWeight: 403.51182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC(COC1=CC=CC(=C1)N(C)C)O)CC#CCCCC(=O)O

Isomeric SMILES

CC(=O)C(CCCC(COC1=CC=CC(=C1)N(C)C)O)CC#CCCCC(=O)O

InChI

InChI=1S/C23H33NO5/c1-18(25)19(10-6-4-5-7-15-23(27)28)11-8-13-21(26)17-29-22-14-9-12-20(16-22)24(2)3/h9,12,14,16,19,21,26H,5,7-8,10-11,13,15,17H2,1-3H3,(H,27,28)