(E)-4-oxidanylidene-4-[(phenylmethyl)-propyl-amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(phenylmethyl)-propyl-amino]but-2-enoic acid Openeye Name: (E)-4-[benzyl(propyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[(phenylmethyl)-propylamino]-2-butenoic acid IUPAC Name: (E)-4-[benzyl(propyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[benzyl(propyl)amino]-4-keto-but-2-enoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)C=CC(=O)O

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO3/c1-2-10-15(13(16)8-9-14(17)18)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,18)/b9-8+