2-benzamido-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid

Systemtic Name: 2-benzamido-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid Openeye Name: 2-benzamido-4-(4-methylpiperazin-1-yl)tetrahydropyran-4-carboxylic acid CAS Name: 2-benzamido-4-(4-methyl-1-piperazinyl)-4-oxanecarboxylic acid IUPAC Name: 2-benzamido-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid Traditional Name: 2-benzamido-4-(4-methylpiperazino)tetrahydropyran-4-carboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2(CCOC(C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2(CCOC(C2)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-20-8-10-21(11-9-20)18(17(23)24)7-12-25-15(13-18)19-16(22)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,22)(H,23,24)