2-[2-(3,4-dimethoxyphenyl)ethanoylamino]octanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]octanoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]octanoic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]octanoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]octanoic acid Traditional Name: 2-(homoveratroylamino)caprylic acid Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC(=O)CC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCC(C(=O)O)NC(=O)CC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C18H27NO5/c1-4-5-6-7-8-14(18(21)22)19-17(20)12-13-9-10-15(23-2)16(11-13)24-3/h9-11,14H,4-8,12H2,1-3H3,(H,19,20)(H,21,22)