ditert-butyl 2-[8-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-ethoxycarbonyl-quinolin-4-yl]propanedioate

Systemtic Name: ditert-butyl 2-[8-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-ethoxycarbonyl-quinolin-4-yl]propanedioate Openeye Name: ditert-butyl 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethoxycarbonyl-4-quinolyl]propanedioate CAS Name: 2-[8-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-ethoxycarbonyl-4-quinolinyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[8-[(2,6-dichlorobenzoyl)amino]-3-ethoxycarbonylquinolin-4-yl]propanedioate Traditional Name: 2-[3-carbethoxy-8-[(2,6-dichlorobenzoyl)amino]-4-quinolyl]malonic acid ditert-butyl ester Formula: C30H32Cl2N2O7 MolecularWeight: 603.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=CC=C2NC(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C30H32Cl2N2O7/c1-8-39-26(36)17-15-33-24-16(11-9-14-20(24)34-25(35)22-18(31)12-10-13-19(22)32)21(17)23(27(37)40-29(2,3)4)28(38)41-30(5,6)7/h9-15,23H,8H2,1-7H3,(H,34,35)