ethyl 4-[(3R)-4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-oxidanylidene-3-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-1-piperidin-4-yl-butyl]benzoate

Systemtic Name: ethyl 4-[(3R)-4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-oxidanylidene-3-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-1-piperidin-4-yl-butyl]benzoate Openeye Name: ethyl 4-[(3R)-4-(3,5-dibromo-4-hydroxy-phenyl)-2-oxo-3-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-1-(4-piperidyl)butyl]benzoate CAS Name: 4-[(3R)-4-(3,5-dibromo-4-hydroxyphenyl)-2-oxo-3-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]-1-(4-piperidinyl)butyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-4-(3,5-dibromo-4-hydroxyphenyl)-2-oxo-3-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-1-piperidin-4-ylbutyl]benzoate Traditional Name: 4-[(3R)-4-(3,5-dibromo-4-hydroxy-phenyl)-2-keto-3-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-1-(4-piperidyl)butyl]benzoic acid ethyl ester Formula: C38H43Br2N5O6 MolecularWeight: 825.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C2CCNCC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C2CCNCC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C38H43Br2N5O6/c1-2-51-36(48)26-9-7-24(8-10-26)33(25-11-15-41-16-12-25)35(47)32(21-23-19-29(39)34(46)30(40)20-23)43-37(49)44-17-13-28(14-18-44)45-22-27-5-3-4-6-31(27)42-38(45)50/h3-10,19-20,25,28,32-33,41,46H,2,11-18,21-22H2,1H3,(H,42,50)(H,43,49)/t32-,33?/m1/s1