ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-(2-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-(2-methoxyphenyl)methanone; oxalic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O2.C2H2O4/c1-26-20-9-5-3-7-18(20)21(25)24-12-10-23(11-13-24)15-16-14-22-19-8-4-2-6-17(16)19;3-1(4)2(5)6/h2-9,14,22H,10-13,15H2,1H3;(H,3,4)(H,5,6)