8-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]octanoic acid

Systemtic Name: 8-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]octanoic acid Openeye Name: 8-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]octanoic acid CAS Name: 8-[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]octanoic acid IUPAC Name: 8-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]octanoic acid Traditional Name: 8-[[(E)-3-(2-methoxyphenyl)acryloyl]amino]caprylic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NCCCCCCCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C18H25NO4/c1-23-16-10-7-6-9-15(16)12-13-17(20)19-14-8-4-2-3-5-11-18(21)22/h6-7,9-10,12-13H,2-5,8,11,14H2,1H3,(H,19,20)(H,21,22)/b13-12+