3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-[(2-bromophenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-[(2-bromophenyl)carbonylamino]propanoic acid Openeye Name: 3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-[(2-bromobenzoyl)amino]propanoic acid CAS Name: 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[[(2-bromophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-bromobenzoyl)amino]propanoic acid Traditional Name: 3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-[(2-bromobenzoyl)amino]propionic acid Formula: C19H19BrN2O6 MolecularWeight: 451.26796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)C2=CC=CC=C2Br)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)C2=CC=CC=C2Br)OCC(=O)N

InChI

InChI=1S/C19H19BrN2O6/c1-27-16-8-11(6-7-15(16)28-10-17(21)23)14(9-18(24)25)22-19(26)12-4-2-3-5-13(12)20/h2-8,14H,9-10H2,1H3,(H2,21,23)(H,22,26)(H,24,25)