methyl (2S)-2-azanyl-5-(2-methylphenyl)pent-4-ynoate

Systemtic Name: methyl (2S)-2-azanyl-5-(2-methylphenyl)pent-4-ynoate Openeye Name: methyl (2S)-2-amino-5-(o-tolyl)pent-4-ynoate CAS Name: (2S)-2-amino-5-(2-methylphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(2-methylphenyl)pent-4-ynoate Traditional Name: (2S)-2-amino-5-(o-tolyl)pent-4-ynoic acid methyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CCC(C(=O)OC)N

Isomeric SMILES

CC1=CC=CC=C1C#CC[C@@H](C(=O)OC)N

InChI

InChI=1S/C13H15NO2/c1-10-6-3-4-7-11(10)8-5-9-12(14)13(15)16-2/h3-4,6-7,12H,9,14H2,1-2H3/t12-/m0/s1