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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H18N2O3/c1-2-3-7-14(16(20)21)18-15(19)9-8-12-5-4-6-13(10-12)11-17/h4-6,8-10,14H,2-3,7H2,1H3,(H,18,19)(H,20,21)/b9-8+