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

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl benzoate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C30H29ClN4O3 MolecularWeight: 529.02926

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H29ClN4O3/c31-23-9-10-26-27(11-12-32-28(26)17-23)33-24-15-21(20-38-30(37)22-7-3-1-4-8-22)16-25(18-24)34-29(36)19-35-13-5-2-6-14-35/h1,3-4,7-12,15-18H,2,5-6,13-14,19-20H2,(H,32,33)(H,34,36)