propan-2-yl 4-[(6,8-dimethyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[(6,8-dimethyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: isopropyl 4-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[6,8-dimethyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(6,8-dimethyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[[6,8-dimethyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]benzoic acid isopropyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C)C

InChI

InChI=1S/C27H25N3O3/c1-16(2)33-27(32)19-7-9-21(10-8-19)29-26(31)23-14-24(20-6-5-11-28-15-20)30-25-18(4)12-17(3)13-22(23)25/h5-16H,1-4H3,(H,29,31)