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

Systemtic Name: 3-[[4-[[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoyl]-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylphenyl)methyl-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylphenyl)methyl-[(E)-3-(2,6-dichlorophenyl)-1-oxoprop-2-enyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylphenyl)methyl-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylbenzyl)-[(E)-3-(2,6-dichlorophenyl)acryloyl]amino]methyl]benzoyl]amino]propionic acid Formula: C31H32Cl2N2O4 MolecularWeight: 567.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C=CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)/C=C/C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C31H32Cl2N2O4/c1-31(2,3)24-13-9-22(10-14-24)20-35(28(36)16-15-25-26(32)5-4-6-27(25)33)19-21-7-11-23(12-8-21)30(39)34-18-17-29(37)38/h4-16H,17-20H2,1-3H3,(H,34,39)(H,37,38)/b16-15+