3-[[4-(3-bromanyl-4-methoxy-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(3-bromanyl-4-methoxy-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(3-bromo-4-methoxy-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(3-bromo-4-methoxy-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)Br)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)Br)C)NC(=O)CC(=O)O

InChI

InChI=1S/C18H18BrNO5/c1-10-6-12(20-16(21)9-17(22)23)7-11(2)18(10)25-13-4-5-15(24-3)14(19)8-13/h4-8H,9H2,1-3H3,(H,20,21)(H,22,23)