[3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 6-phenylhexanoate

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 6-phenylhexanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 6-phenylhexanoate CAS Name: 6-phenylhexanoic 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 6-phenylhexanoate Traditional Name: 6-phenylhexanoic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C35H39ClN4O3 MolecularWeight: 599.16216

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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)CCCCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CCCCCC5=CC=CC=C5

InChI

InChI=1S/C35H39ClN4O3/c36-28-14-15-31-32(16-17-37-33(31)22-28)38-29-20-27(21-30(23-29)39-34(41)24-40-18-8-3-9-19-40)25-43-35(42)13-7-2-6-12-26-10-4-1-5-11-26/h1,4-5,10-11,14-17,20-23H,2-3,6-9,12-13,18-19,24-25H2,(H,37,38)(H,39,41)