3-[[1-[(2-bromophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methoxy-3-methyl-phenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methoxy-3-methyl-phenyl)propanoic acid Openeye Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(4-methoxy-3-methyl-phenyl)propanoic acid CAS Name: 3-[[[[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methoxy-3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methoxy-3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-bromobenzyl)-2-keto-3-pyridyl]carbamoylamino]-3-(4-methoxy-3-methyl-phenyl)propionic acid Formula: C24H24BrN3O5 MolecularWeight: 514.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CC=C3Br)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CC=C3Br)OC

InChI

InChI=1S/C24H24BrN3O5/c1-15-12-16(9-10-21(15)33-2)20(13-22(29)30)27-24(32)26-19-8-5-11-28(23(19)31)14-17-6-3-4-7-18(17)25/h3-12,20H,13-14H2,1-2H3,(H,29,30)(H2,26,27,32)