ethanedioic acid; [1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; [1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(5-methyl-2-furyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(5-methyl-2-furanyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-[(5-methyl-2-furyl)methyl]-4-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C24H31N3O6 MolecularWeight: 457.51944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(O1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O2.C2H2O4/c1-18-7-8-21(27-18)17-23-11-9-19(10-12-23)22(26)25-15-13-24(14-16-25)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-8,19H,9-17H2,1H3;(H,3,4)(H,5,6)