3-butoxy-4-(phenylcarbonyl)benzoic acid; methanamide

Systemtic Name: 3-butoxy-4-(phenylcarbonyl)benzoic acid; methanamide Openeye Name: 4-benzoyl-3-butoxy-benzoic acid; formamide CAS Name: 4-benzoyl-3-butoxybenzoic acid; formamide IUPAC Name: 4-benzoyl-3-butoxybenzoic acid; formamide Traditional Name: 4-benzoyl-3-butoxy-benzoic acid; formamide Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2.C(=O)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2.C(=O)N

InChI

InChI=1S/C18H18O4.CH3NO/c1-2-3-11-22-16-12-14(18(20)21)9-10-15(16)17(19)13-7-5-4-6-8-13;2-1-3/h4-10,12H,2-3,11H2,1H3,(H,20,21);1H,(H2,2,3)