3-[[4-[[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoyl]-(2-ethylhexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoyl]-(2-ethylhexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-(2-ethylhexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(E)-3-(2,6-dichlorophenyl)-1-oxoprop-2-enyl]-(2-ethylhexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-(2-ethylhexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[[(E)-3-(2,6-dichlorophenyl)acryloyl]-(2-ethylhexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C28H34Cl2N2O4 MolecularWeight: 533.48656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C=CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCC(CC)CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)/C=C/C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C28H34Cl2N2O4/c1-3-5-7-20(4-2)18-32(26(33)15-14-23-24(29)8-6-9-25(23)30)19-21-10-12-22(13-11-21)28(36)31-17-16-27(34)35/h6,8-15,20H,3-5,7,16-19H2,1-2H3,(H,31,36)(H,34,35)/b15-14+