(2S)-2-[3-[5-bromanyl-1-(4-chlorophenyl)-2,3-dihydroinden-1-yl]propyl-methyl-amino]propanoic acid

Systemtic Name: (2S)-2-[3-[5-bromanyl-1-(4-chlorophenyl)-2,3-dihydroinden-1-yl]propyl-methyl-amino]propanoic acid Openeye Name: (2S)-2-[3-[5-bromo-1-(4-chlorophenyl)indan-1-yl]propyl-methyl-amino]propanoic acid CAS Name: (2S)-2-[3-[5-bromo-1-(4-chlorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]propanoic acid IUPAC Name: (2S)-2-[3-[5-bromo-1-(4-chlorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]propanoic acid Traditional Name: (2S)-2-[3-[5-bromo-1-(4-chlorophenyl)indan-1-yl]propyl-methyl-amino]propionic acid Formula: C22H25BrClNO2 MolecularWeight: 450.7964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)CCCC1(CCC2=C1C=CC(=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)O)N(C)CCCC1(CCC2=C1C=CC(=C2)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25BrClNO2/c1-15(21(26)27)25(2)13-3-11-22(17-4-7-19(24)8-5-17)12-10-16-14-18(23)6-9-20(16)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,27)/t15-,22?/m0/s1