ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole

Systemtic Name: ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole Openeye Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole; oxalic acid CAS Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole; oxalic acid IUPAC Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole; oxalic acid Traditional Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole; oxalic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCN2C=NC3=CC=CC=C32)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCN2C=NC3=CC=CC=C32)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O2.C2H2O4/c1-3-7-16-10-11-19(20(14-16)23-2)24-13-6-12-22-15-21-17-8-4-5-9-18(17)22;3-1(4)2(5)6/h3-5,7-11,14-15H,6,12-13H2,1-2H3;(H,3,4)(H,5,6)/b7-3+;