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

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 3-piperidin-1-ylpropanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 3-(1-piperidyl)propanoate CAS Name: 3-(1-piperidinyl)propanoic 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 3-piperidin-1-ylpropanoate Traditional Name: 3-piperidinopropionic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C31H38ClN5O3 MolecularWeight: 564.11812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38ClN5O3/c32-24-7-8-27-28(9-11-33-29(27)19-24)34-25-17-23(22-40-31(39)10-16-36-12-3-1-4-13-36)18-26(20-25)35-30(38)21-37-14-5-2-6-15-37/h7-9,11,17-20H,1-6,10,12-16,21-22H2,(H,33,34)(H,35,38)