2-[[3-(3-bromanyl-2,4,6-triethyl-phenyl)-3-chloranyl-prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-(3-bromanyl-2,4,6-triethyl-phenyl)-3-chloranyl-prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[3-(3-bromo-2,4,6-triethyl-phenyl)-3-chloro-prop-2-enoyl]amino]acetic acid CAS Name: 2-[[3-(3-bromo-2,4,6-triethylphenyl)-3-chloro-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[3-(3-bromo-2,4,6-triethylphenyl)-3-chloroprop-2-enoyl]amino]acetic acid Traditional Name: 2-[[3-(3-bromo-2,4,6-triethyl-phenyl)-3-chloro-acryloyl]amino]acetic acid Formula: C17H21BrClNO3 MolecularWeight: 402.71054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C(=CC(=O)NCC(=O)O)Cl)CC)Br)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1C(=CC(=O)NCC(=O)O)Cl)CC)Br)CC

InChI

InChI=1S/C17H21BrClNO3/c1-4-10-7-11(5-2)17(18)12(6-3)16(10)13(19)8-14(21)20-9-15(22)23/h7-8H,4-6,9H2,1-3H3,(H,20,21)(H,22,23)