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

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 2-piperidin-1-ylethanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 2-(1-piperidyl)acetate CAS Name: 2-(1-piperidinyl)acetic 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 2-piperidin-1-ylacetate Traditional Name: 2-piperidinoacetic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C30H36ClN5O3 MolecularWeight: 550.09154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CN5CCCCC5

InChI

InChI=1S/C30H36ClN5O3/c31-23-7-8-26-27(9-10-32-28(26)17-23)33-24-15-22(21-39-30(38)20-36-13-5-2-6-14-36)16-25(18-24)34-29(37)19-35-11-3-1-4-12-35/h7-10,15-18H,1-6,11-14,19-21H2,(H,32,33)(H,34,37)