2-[[1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]isonipecotoyl]amino]propionic acid Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)O)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H23BrN2O5/c1-12(19(25)26)21-18(24)13-7-9-22(10-8-13)17(23)6-3-14-11-15(20)4-5-16(14)27-2/h3-6,11-13H,7-10H2,1-2H3,(H,21,24)(H,25,26)/b6-3+