ethanedioic acid; 1-[4-[3-(4-ethylpiperazin-1-yl)propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[3-(4-ethylpiperazin-1-yl)propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-(4-ethylpiperazin-1-yl)propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[3-(4-ethyl-1-piperazinyl)propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(4-ethylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(4-ethylpiperazino)propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)C(=O)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)C(=O)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-4-19-9-11-20(12-10-19)8-5-13-23-17-7-6-16(15(2)21)14-18(17)22-3;3-1(4)2(5)6/h6-7,14H,4-5,8-13H2,1-3H3;(H,3,4)(H,5,6)