4-(butylamino)-3-methoxycarbonyl-benzoic acid

Systemtic Name: 4-(butylamino)-3-methoxycarbonyl-benzoic acid Openeye Name: 4-(butylamino)-3-methoxycarbonyl-benzoic acid CAS Name: 4-(butylamino)-3-methoxycarbonylbenzoic acid IUPAC Name: 4-(butylamino)-3-methoxycarbonylbenzoic acid Traditional Name: 4-(butylamino)-3-carbomethoxy-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=O)O)C(=O)OC

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=O)O)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-3-4-7-14-11-6-5-9(12(15)16)8-10(11)13(17)18-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)