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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c17-12-14-6-4-5-13(11-14)8-9-15(19)18-10-3-1-2-7-16(20)21/h4-6,8-9,11H,1-3,7,10H2,(H,18,19)(H,20,21)/b9-8+