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

Systemtic Name: ethyl 2,5-bis(azanyl)-2-ethynyl-hexanoate Openeye Name: ethyl 2,5-diamino-2-ethynyl-hexanoate CAS Name: 2,5-diamino-2-ethynylhexanoic acid ethyl ester IUPAC Name: ethyl 2,5-diamino-2-ethynylhexanoate Traditional Name: 2-amino-2-(3-aminobutyl)but-3-ynoic acid ethyl ester Formula: C10H18N2O2 MolecularWeight: 198.26212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(C)N)(C#C)N

Isomeric SMILES

CCOC(=O)C(CCC(C)N)(C#C)N

InChI

InChI=1S/C10H18N2O2/c1-4-10(12,7-6-8(3)11)9(13)14-5-2/h1,8H,5-7,11-12H2,2-3H3