4-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylamino]benzoic acid Openeye Name: 4-[(4-methoxycarbonyl-5-methyl-2-furyl)methylamino]benzoic acid CAS Name: 4-[(4-methoxycarbonyl-5-methyl-2-furanyl)methylamino]benzoic acid IUPAC Name: 4-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]benzoic acid Traditional Name: 4-[(4-carbomethoxy-5-methyl-2-furyl)methylamino]benzoic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CNC2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CNC2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C15H15NO5/c1-9-13(15(19)20-2)7-12(21-9)8-16-11-5-3-10(4-6-11)14(17)18/h3-7,16H,8H2,1-2H3,(H,17,18)