6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-cyanophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(2-cyanophenyl)acryloyl]amino]hexanoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NCCCCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NCCCCCC(=O)O)C#N

InChI

InChI=1S/C16H18N2O3/c17-12-14-7-4-3-6-13(14)9-10-15(19)18-11-5-1-2-8-16(20)21/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,18,19)(H,20,21)/b10-9+