6-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hex-5-ynoic acid

Systemtic Name: 6-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hex-5-ynoic acid Openeye Name: 6-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hex-5-ynoic acid CAS Name: 6-[3-[(1-hydroxypropan-2-ylamino)-oxomethyl]phenyl]-5-hexynoic acid IUPAC Name: 6-[3-(1-hydroxypropan-2-ylcarbamoyl)phenyl]hex-5-ynoic acid Traditional Name: 6-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hex-5-ynoic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)C1=CC=CC(=C1)C#CCCCC(=O)O

Isomeric SMILES

CC(CO)NC(=O)C1=CC=CC(=C1)C#CCCCC(=O)O

InChI

InChI=1S/C16H19NO4/c1-12(11-18)17-16(21)14-8-5-7-13(10-14)6-3-2-4-9-15(19)20/h5,7-8,10,12,18H,2,4,9,11H2,1H3,(H,17,21)(H,19,20)