5-(hepta-1,6-dien-4-ylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(hepta-1,6-dien-4-ylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1-allylbut-3-enylamino)-5-oxo-pentanoic acid CAS Name: 5-(hepta-1,6-dien-4-ylamino)-5-oxopentanoic acid IUPAC Name: 5-(hepta-1,6-dien-4-ylamino)-5-oxopentanoic acid Traditional Name: 5-(1-allylbut-3-enylamino)-5-keto-valeric acid Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)NC(=O)CCCC(=O)O

Isomeric SMILES

C=CCC(CC=C)NC(=O)CCCC(=O)O

InChI

InChI=1S/C12H19NO3/c1-3-6-10(7-4-2)13-11(14)8-5-9-12(15)16/h3-4,10H,1-2,5-9H2,(H,13,14)(H,15,16)