5-[(2-methylphenyl)amino]pent-3-ynoic acid

Systemtic Name: 5-[(2-methylphenyl)amino]pent-3-ynoic acid Openeye Name: 5-(2-methylanilino)pent-3-ynoic acid CAS Name: 5-(2-methylanilino)-3-pentynoic acid IUPAC Name: 5-(2-methylanilino)pent-3-ynoic acid Traditional Name: 5-(o-toluidino)pent-3-ynoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC#CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NCC#CCC(=O)O

InChI

InChI=1S/C12H13NO2/c1-10-6-2-3-7-11(10)13-9-5-4-8-12(14)15/h2-3,6-7,13H,8-9H2,1H3,(H,14,15)