ethanedioic acid; [4-(3-indol-1-yl-2-oxidanyl-propyl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-(3-indol-1-yl-2-oxidanyl-propyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(2-hydroxy-3-indol-1-yl-propyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-(1-indolyl)propyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(2-hydroxy-3-indol-1-ylpropyl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(2-hydroxy-3-indol-1-yl-propyl)piperazino]-phenyl-methanone; oxalic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(CN2C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C2H2O4/c26-20(17-25-11-10-18-6-4-5-9-21(18)25)16-23-12-14-24(15-13-23)22(27)19-7-2-1-3-8-19;3-1(4)2(5)6/h1-11,20,26H,12-17H2;(H,3,4)(H,5,6)