3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C25H24ClFN2O2 MolecularWeight: 438.921663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN(CCC(=O)O)CC3=C(C=CC=C3Cl)F)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN(CCC(=O)O)CC3=C(C=CC=C3Cl)F)C4=CC=CC=C41

InChI

InChI=1S/C25H24ClFN2O2/c1-2-29-23-9-4-3-6-18(23)19-14-17(10-11-24(19)29)15-28(13-12-25(30)31)16-20-21(26)7-5-8-22(20)27/h3-11,14H,2,12-13,15-16H2,1H3,(H,30,31)