ethyl 4-[2-[(4-bromanyl-7-methyl-quinolin-2-yl)carbonylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-bromanyl-7-methyl-quinolin-2-yl)carbonylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-bromo-7-methyl-quinoline-2-carbonyl)amino]-5-tert-butoxy-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-bromo-7-methyl-2-quinolinyl)-oxomethyl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-bromo-7-methylquinoline-2-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-bromo-7-methyl-quinoline-2-carbonyl)amino]-5-tert-butoxy-5-keto-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H35BrN4O6 MolecularWeight: 591.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)Br

InChI

InChI=1S/C27H35BrN4O6/c1-6-37-26(36)32-13-11-31(12-14-32)25(35)20(9-10-23(33)38-27(3,4)5)30-24(34)22-16-19(28)18-8-7-17(2)15-21(18)29-22/h7-8,15-16,20H,6,9-14H2,1-5H3,(H,30,34)