2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 2-(2-furylmethylamino)-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 2-(2-furanylmethylamino)-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 2-(2-furfurylamino)-4-(4-methylpiperazino)benzoic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)NCC3=CC=CO3

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)NCC3=CC=CO3

InChI

InChI=1S/C17H21N3O3/c1-19-6-8-20(9-7-19)13-4-5-15(17(21)22)16(11-13)18-12-14-3-2-10-23-14/h2-5,10-11,18H,6-9,12H2,1H3,(H,21,22)