2-[(2-bromanyl-5-methyl-phenyl)carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: 2-[(2-bromanyl-5-methyl-phenyl)carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: 2-[(2-bromo-5-methyl-benzoyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: 2-[[(2-bromo-5-methylphenyl)-oxomethyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: 2-[(2-bromo-5-methylbenzoyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: 2-[(2-bromo-5-methyl-benzoyl)amino]-3-[4-(cinchoninoylamino)phenyl]propionic acid Formula: C27H22BrN3O4 MolecularWeight: 532.38528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C27H22BrN3O4/c1-16-6-11-22(28)21(14-16)26(33)31-24(27(34)35)15-17-7-9-18(10-8-17)30-25(32)20-12-13-29-23-5-3-2-4-19(20)23/h2-14,24H,15H2,1H3,(H,30,32)(H,31,33)(H,34,35)