5-[[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H18BrNO5/c1-25-16-7-5-14(20)10-13(16)4-8-18(22)21-11-12-3-6-17(26-2)15(9-12)19(23)24/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)/b8-4+