ethanedioic acid; 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-2-(4-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)COC4=CC=C(C=C4)C)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)COC4=CC=C(C=C4)C)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3O2.C2H2O4/c1-3-31-26-7-5-4-6-24(26)25-18-22(10-13-27(25)31)19-29-14-16-30(17-15-29)28(32)20-33-23-11-8-21(2)9-12-23;3-1(4)2(5)6/h4-13,18H,3,14-17,19-20H2,1-2H3;(H,3,4)(H,5,6)