methyl 2,5-bis(azanyl)-2-ethynyl-hexanoate

Systemtic Name: methyl 2,5-bis(azanyl)-2-ethynyl-hexanoate Openeye Name: methyl 2,5-diamino-2-ethynyl-hexanoate CAS Name: 2,5-diamino-2-ethynylhexanoic acid methyl ester IUPAC Name: methyl 2,5-diamino-2-ethynylhexanoate Traditional Name: 2-amino-2-(3-aminobutyl)but-3-ynoic acid methyl ester Formula: C9H16N2O2 MolecularWeight: 184.23554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O2/c1-4-9(11,8(12)13-3)6-5-7(2)10/h1,7H,5-6,10-11H2,2-3H3