(E)-4-oxidanylidene-4-(4-phenylbutylamino)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(4-phenylbutylamino)but-2-enoate Openeye Name: (E)-4-oxo-4-(4-phenylbutylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(4-phenylbutylamino)-2-butenoate IUPAC Name: (E)-4-oxo-4-(4-phenylbutylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(4-phenylbutylamino)but-2-enoate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c16-13(9-10-14(17)18)15-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,11H2,(H,15,16)(H,17,18)/p-1/b10-9+