2-[4-[(7-chloranylquinolin-4-yl)amino]pentyl-ethyl-amino]ethyl (E)-octadec-9-enoate

Systemtic Name: 2-[4-[(7-chloranylquinolin-4-yl)amino]pentyl-ethyl-amino]ethyl (E)-octadec-9-enoate Openeye Name: 2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[4-[(7-chloro-4-quinolinyl)amino]pentyl-ethylamino]ethyl ester IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethyl ester Formula: C36H58ClN3O2 MolecularWeight: 600.31762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

InChI

InChI=1S/C36H58ClN3O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36(41)42-29-28-40(5-2)27-20-21-31(3)39-34-25-26-38-35-30-32(37)23-24-33(34)35/h12-13,23-26,30-31H,4-11,14-22,27-29H2,1-3H3,(H,38,39)/b13-12+