methyl 6-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hex-5-ynoate

Systemtic Name: methyl 6-[3-(1-oxidanylpropan-2-ylcarbamoyl)phenyl]hex-5-ynoate Openeye Name: methyl 6-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hex-5-ynoate CAS Name: 6-[3-[(1-hydroxypropan-2-ylamino)-oxomethyl]phenyl]-5-hexynoic acid methyl ester IUPAC Name: methyl 6-[3-(1-hydroxypropan-2-ylcarbamoyl)phenyl]hex-5-ynoate Traditional Name: 6-[3-[(2-hydroxy-1-methyl-ethyl)carbamoyl]phenyl]hex-5-ynoic acid methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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