(E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]pent-2-enoic acid

Systemtic Name: (E)-2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]pent-2-enoic acid Openeye Name: (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]pent-2-enoic acid CAS Name: (E)-2-[[[2-bromo-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-2-pentenoic acid IUPAC Name: (E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]pent-2-enoic acid Traditional Name: (E)-2-[[2-bromo-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]pent-2-enoic acid Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5/c1-2-4-17(20(27)28)23-19(26)15-8-7-13(10-16(15)21)18(25)22-11-12-5-3-6-14(24)9-12/h3-10,24H,2,11H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b17-4+