4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-(4-chlorophenyl)acryloyl]amino]butyrate Formula: C13H13ClNO3- MolecularWeight: 266.70022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NCCCC(=O)[O-])Cl

InChI

InChI=1S/C13H14ClNO3/c14-11-6-3-10(4-7-11)5-8-12(16)15-9-1-2-13(17)18/h3-8H,1-2,9H2,(H,15,16)(H,17,18)/p-1/b8-5+