(6Z)-6-[[(1-hexadecylbenzimidazol-2-yl)amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[[(1-hexadecylbenzimidazol-2-yl)amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[[(1-hexadecylbenzimidazol-2-yl)amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[[(1-hexadecyl-2-benzimidazolyl)amino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[[(1-hexadecylbenzimidazol-2-yl)amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[[(1-cetylbenzimidazol-2-yl)amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C31H45N3O2 MolecularWeight: 491.7079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1NC=C3C=C(C=CC3=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1N/C=C\3/C=C(C=CC3=O)OC

InChI

InChI=1S/C31H45N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-34-29-20-17-16-19-28(29)33-31(34)32-25-26-24-27(36-2)21-22-30(26)35/h16-17,19-22,24-25H,3-15,18,23H2,1-2H3,(H,32,33)/b26-25-