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

Systemtic Name: ethanedioic acid; 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole Openeye Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole; oxalic acid CAS Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole; oxalic acid IUPAC Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole; oxalic acid Traditional Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole; oxalic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C32)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C32)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O2.C2H2O4/c1-3-8-17-11-12-20(21(15-17)24-2)25-14-7-6-13-23-16-22-18-9-4-5-10-19(18)23;3-1(4)2(5)6/h3-5,8-12,15-16H,6-7,13-14H2,1-2H3;(H,3,4)(H,5,6)/b8-3+;