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

Systemtic Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-bromophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-bromobenzyl)-2-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O4/c1-15-8-10-16(11-9-15)20(13-21(28)29)26-23(31)25-19-7-4-12-27(22(19)30)14-17-5-2-3-6-18(17)24/h2-12,20H,13-14H2,1H3,(H,28,29)(H2,25,26,31)