[3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 8-piperidin-1-yloctanoate

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 8-piperidin-1-yloctanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 8-(1-piperidyl)octanoate CAS Name: 8-(1-piperidinyl)octanoic acid [3-[(7-chloro-4-quinolinyl)amino]-5-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]methyl ester IUPAC Name: [3-[(7-chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]phenyl]methyl 8-piperidin-1-yloctanoate Traditional Name: 8-piperidinocaprylic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C36H48ClN5O3 MolecularWeight: 634.25102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCCCC(=O)OCC2=CC(=CC(=C2)NC(=O)CN3CCCCC3)NC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCCCCCCC(=O)OCC2=CC(=CC(=C2)NC(=O)CN3CCCCC3)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C36H48ClN5O3/c37-29-13-14-32-33(15-16-38-34(32)24-29)39-30-22-28(23-31(25-30)40-35(43)26-42-20-10-5-11-21-42)27-45-36(44)12-6-2-1-3-7-17-41-18-8-4-9-19-41/h13-16,22-25H,1-12,17-21,26-27H2,(H,38,39)(H,40,43)