3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoic acid

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoic acid CAS Name: 3-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C18H19NO5/c1-23-15-8-6-12(10-16(15)24-2)7-9-17(20)19-14-5-3-4-13(11-14)18(21)22/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)(H,21,22)