3-[(5-methoxycarbonylfuran-2-yl)methylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-methoxycarbonylfuran-2-yl)methylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-methoxycarbonyl-2-furyl)methylamino]-4-methyl-benzoic acid CAS Name: 3-[(5-methoxycarbonyl-2-furanyl)methylamino]-4-methylbenzoic acid IUPAC Name: 3-[(5-methoxycarbonylfuran-2-yl)methylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-carbomethoxy-2-furyl)methylamino]-4-methyl-benzoic acid Formula: C15H15NO5 MolecularWeight: 289.2833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(O2)C(=O)OC

InChI

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