3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]benzoic acid

Systemtic Name: 3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]benzoic acid Openeye Name: 3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]benzoic acid CAS Name: 3-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]benzoic acid Traditional Name: 3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]benzoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-23-15-9-11(5-7-14(15)19)6-8-16(20)18-13-4-2-3-12(10-13)17(21)22/h2-5,7,9-10,19H,6,8H2,1H3,(H,18,20)(H,21,22)