3-[[(Z)-2-benzamido-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(Z)-2-benzamido-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[(Z)-2-benzamido-3-(3-bromo-4-methoxy-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[(Z)-2-benzamido-3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(Z)-2-benzamido-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[(Z)-2-benzamido-3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]-4-methoxy-benzoic acid Formula: C25H21BrN2O6 MolecularWeight: 525.34804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=CC2=CC(=C(C=C2)OC)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21BrN2O6/c1-33-21-10-8-15(12-18(21)26)13-20(28-23(29)16-6-4-3-5-7-16)24(30)27-19-14-17(25(31)32)9-11-22(19)34-2/h3-14H,1-2H3,(H,27,30)(H,28,29)(H,31,32)/b20-13-