7-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hept-6-ynoic acid

Systemtic Name: 7-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hept-6-ynoic acid Openeye Name: 7-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hept-6-ynoic acid CAS Name: 7-[3-[(1-hydroxypropan-2-ylamino)-oxomethyl]phenyl]-6-heptynoic acid IUPAC Name: 7-[3-(1-hydroxypropan-2-ylcarbamoyl)phenyl]hept-6-ynoic acid Traditional Name: 7-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hept-6-ynoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-13(12-19)18-17(22)15-9-6-8-14(11-15)7-4-2-3-5-10-16(20)21/h6,8-9,11,13,19H,2-3,5,10,12H2,1H3,(H,18,22)(H,20,21)