3-(hept-5-ynoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(hept-5-ynoylamino)-4-methyl-benzoic acid Openeye Name: 3-(hept-5-ynoylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-(1-oxohept-5-ynylamino)benzoic acid IUPAC Name: 3-(hept-5-ynoylamino)-4-methylbenzoic acid Traditional Name: 3-(hept-5-ynoylamino)-4-methyl-benzoic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CC#CCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C15H17NO3/c1-3-4-5-6-7-14(17)16-13-10-12(15(18)19)9-8-11(13)2/h8-10H,5-7H2,1-2H3,(H,16,17)(H,18,19)