ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(Z)-3-methoxy-2-phenyl-prop-1-enyl]isoquinoline

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(Z)-3-methoxy-2-phenyl-prop-1-enyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(Z)-3-methoxy-2-phenyl-prop-1-enyl]isoquinoline; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(Z)-3-methoxy-2-phenylprop-1-enyl]isoquinoline; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(Z)-3-methoxy-2-phenylprop-1-enyl]isoquinoline; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[(Z)-3-methoxy-2-phenyl-prop-1-enyl]isoquinoline; oxalic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C=C(COC)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C(\COC)/C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O.C2H2O4/c1-3-27-13-15-28(16-14-27)25-24-12-8-7-11-21(24)17-23(26-25)18-22(19-29-2)20-9-5-4-6-10-20;3-1(4)2(5)6/h4-12,17-18H,3,13-16,19H2,1-2H3;(H,3,4)(H,5,6)/b22-18+;