5-(butylamino)-2-methylidene-pentanoic acid; (E)-3-[octyl(prop-2-enoyl)amino]prop-2-enoate

Systemtic Name: 5-(butylamino)-2-methylidene-pentanoic acid; (E)-3-[octyl(prop-2-enoyl)amino]prop-2-enoate Openeye Name: 5-(butylamino)-2-methylene-pentanoic acid; (E)-3-[octyl(prop-2-enoyl)amino]prop-2-enoate CAS Name: 5-(butylamino)-2-methylenepentanoic acid; (E)-3-[octyl(1-oxoprop-2-enyl)amino]-2-propenoate IUPAC Name: 5-(butylamino)-2-methylidenepentanoic acid; (E)-3-[octyl(prop-2-enoyl)amino]prop-2-enoate Traditional Name: (E)-3-[acryloyl(octyl)amino]acrylate; 2-[3-(butylamino)propyl]acrylic acid Formula: C24H41N2O5- MolecularWeight: 437.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C=CC(=O)[O-])C(=O)C=C.CCCCNCCCC(=C)C(=O)O

Isomeric SMILES

CCCCCCCCN(/C=C/C(=O)[O-])C(=O)C=C.CCCCNCCCC(=C)C(=O)O

InChI

InChI=1S/C14H23NO3.C10H19NO2/c1-3-5-6-7-8-9-11-15(13(16)4-2)12-10-14(17)18;1-3-4-7-11-8-5-6-9(2)10(12)13/h4,10,12H,2-3,5-9,11H2,1H3,(H,17,18);11H,2-8H2,1H3,(H,12,13)/p-1/b12-10+;