3-azanyl-5-hexoxy-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-azanyl-5-hexoxy-4-(phenylcarbonyl)benzoic acid Openeye Name: 3-amino-4-benzoyl-5-hexoxy-benzoic acid CAS Name: 3-amino-4-benzoyl-5-hexoxybenzoic acid IUPAC Name: 3-amino-4-benzoyl-5-hexoxybenzoic acid Traditional Name: 3-amino-4-benzoyl-5-hexoxy-benzoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C20H23NO4/c1-2-3-4-8-11-25-17-13-15(20(23)24)12-16(21)18(17)19(22)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11,21H2,1H3,(H,23,24)