(E)-4-[3-[methyl(phenyl)amino]propylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-[methyl(phenyl)amino]propylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(N-methylanilino)propylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(N-methylanilino)propylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(N-methylanilino)propylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-(N-methylanilino)propylamino]but-2-enoic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C=CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CN(CCCNC(=O)/C=C/C(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C14H18N2O3/c1-16(12-6-3-2-4-7-12)11-5-10-15-13(17)8-9-14(18)19/h2-4,6-9H,5,10-11H2,1H3,(H,15,17)(H,18,19)/b9-8+