methyl (E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]pent-2-enoate

Systemtic Name: methyl (E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]pent-2-enoate Openeye Name: methyl (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]pent-2-enoate CAS Name: (E)-2-[[[2-bromo-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]pent-2-enoate Traditional Name: (E)-2-[[2-bromo-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]pent-2-enoic acid methyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5/c1-3-5-18(21(28)29-2)24-20(27)16-9-8-14(11-17(16)22)19(26)23-12-13-6-4-7-15(25)10-13/h4-11,25H,3,12H2,1-2H3,(H,23,26)(H,24,27)/b18-5+