ethanedioic acid; 1-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]-4-(phenylmethyl)piperazine Openeye Name: 1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-4-benzyl-piperazine; oxalic acid CAS Name: 1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-4-benzyl-piperazine; oxalic acid Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O2.C2H2O4/c1-3-9-22-12-13-24(25(20-22)28-2)29-19-8-7-14-26-15-17-27(18-16-26)21-23-10-5-4-6-11-23;3-1(4)2(5)6/h3-6,10-13,20H,1,7-9,14-19,21H2,2H3;(H,3,4)(H,5,6)