propan-2-yl 4-[[(4-fluorophenyl)-(2-methyl-8-oxidanyl-quinolin-7-yl)methyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[(4-fluorophenyl)-(2-methyl-8-oxidanyl-quinolin-7-yl)methyl]amino]benzoate Openeye Name: isopropyl 4-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolyl)methyl]amino]benzoate CAS Name: 4-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolinyl)methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(4-fluorophenyl)-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate Traditional Name: 4-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolyl)methyl]amino]benzoic acid isopropyl ester Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)F)NC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)F)NC4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C27H25FN2O3/c1-16(2)33-27(32)20-8-13-22(14-9-20)30-24(18-6-11-21(28)12-7-18)23-15-10-19-5-4-17(3)29-25(19)26(23)31/h4-16,24,30-31H,1-3H3