9-[[(E)-4-(2-methoxyphenyl)but-3-enoyl]amino]nonanoic acid

Systemtic Name: 9-[[(E)-4-(2-methoxyphenyl)but-3-enoyl]amino]nonanoic acid Openeye Name: 9-[[(E)-4-(2-methoxyphenyl)but-3-enoyl]amino]nonanoic acid CAS Name: 9-[[(E)-4-(2-methoxyphenyl)-1-oxobut-3-enyl]amino]nonanoic acid IUPAC Name: 9-[[(E)-4-(2-methoxyphenyl)but-3-enoyl]amino]nonanoic acid Traditional Name: 9-[[(E)-4-(2-methoxyphenyl)but-3-enoyl]amino]pelargonic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCC(=O)NCCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4/c1-25-18-13-8-7-11-17(18)12-10-14-19(22)21-16-9-5-3-2-4-6-15-20(23)24/h7-8,10-13H,2-6,9,14-16H2,1H3,(H,21,22)(H,23,24)/b12-10+