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

Systemtic Name: 6-azanyl-2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[(E)-3-(3-methoxyphenyl)acryloyl]amino]hexanoic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-22-13-6-4-5-12(11-13)8-9-15(19)18-14(16(20)21)7-2-3-10-17/h4-6,8-9,11,14H,2-3,7,10,17H2,1H3,(H,18,19)(H,20,21)/b9-8+