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

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl 5-pyrrolidin-1-ylpentanoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl 5-pyrrolidin-1-ylpentanoate CAS Name: 5-(1-pyrrolidinyl)pentanoic 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 5-pyrrolidin-1-ylpentanoate Traditional Name: 5-pyrrolidinovaleric acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C32H40ClN5O3 MolecularWeight: 578.1447

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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)CCCCN5CCCC5

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)CCCCN5CCCC5

InChI

InChI=1S/C32H40ClN5O3/c33-25-9-10-28-29(11-12-34-30(28)20-25)35-26-18-24(23-41-32(40)8-2-5-13-37-14-6-7-15-37)19-27(21-26)36-31(39)22-38-16-3-1-4-17-38/h9-12,18-21H,1-8,13-17,22-23H2,(H,34,35)(H,36,39)