5-bromanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyphenyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-N-[3-methoxy-4-(5-methylol-2-furyl)phenyl]-3-methyl-benzamide Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)OC)OC

InChI

InChI=1S/C21H20BrNO5/c1-12-8-13(22)9-17(20(12)27-3)21(25)23-14-4-6-16(19(10-14)26-2)18-7-5-15(11-24)28-18/h4-10,24H,11H2,1-3H3,(H,23,25)