5-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]pent-4-ynoic acid

Systemtic Name: 5-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]pent-4-ynoic acid Openeye Name: 5-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]pent-4-ynoic acid CAS Name: 5-[3-[(1-hydroxypropan-2-ylamino)-oxomethyl]phenyl]-4-pentynoic acid IUPAC Name: 5-[3-(1-hydroxypropan-2-ylcarbamoyl)phenyl]pent-4-ynoic acid Traditional Name: 5-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]pent-4-ynoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-11(10-17)16-15(20)13-7-4-6-12(9-13)5-2-3-8-14(18)19/h4,6-7,9,11,17H,3,8,10H2,1H3,(H,16,20)(H,18,19)