butyl prop-2-enoate; 5-cyano-2-methyl-2-(prop-2-enoylamino)pentanoic acid

Systemtic Name: butyl prop-2-enoate; 5-cyano-2-methyl-2-(prop-2-enoylamino)pentanoic acid Openeye Name: butyl prop-2-enoate; 5-cyano-2-methyl-2-(prop-2-enoylamino)pentanoic acid CAS Name: 5-cyano-2-methyl-2-(1-oxoprop-2-enylamino)pentanoic acid; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 5-cyano-2-methyl-2-(prop-2-enoylamino)pentanoic acid Traditional Name: 2-acrylamido-5-cyano-2-methyl-valeric acid; acrylic acid butyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(CCCC#N)(C(=O)O)NC(=O)C=C

Isomeric SMILES

CCCCOC(=O)C=C.CC(CCCC#N)(C(=O)O)NC(=O)C=C

InChI

InChI=1S/C10H14N2O3.C7H12O2/c1-3-8(13)12-10(2,9(14)15)6-4-5-7-11;1-3-5-6-9-7(8)4-2/h3H,1,4-6H2,2H3,(H,12,13)(H,14,15);4H,2-3,5-6H2,1H3