3-azanyl-5-butoxy-4-(4-methylphenyl)carbonyl-benzoic acid

Systemtic Name: 3-azanyl-5-butoxy-4-(4-methylphenyl)carbonyl-benzoic acid Openeye Name: 3-amino-5-butoxy-4-(4-methylbenzoyl)benzoic acid CAS Name: 3-amino-5-butoxy-4-[(4-methylphenyl)-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-butoxy-4-(4-methylbenzoyl)benzoic acid Traditional Name: 3-amino-5-butoxy-4-p-toluoyl-benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)C)N)C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)C)N)C(=O)O

InChI

InChI=1S/C19H21NO4/c1-3-4-9-24-16-11-14(19(22)23)10-15(20)17(16)18(21)13-7-5-12(2)6-8-13/h5-8,10-11H,3-4,9,20H2,1-2H3,(H,22,23)