(2R,3S)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-butanoic acid

Systemtic Name: (2R,3S)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-butanoic acid Openeye Name: (2R,3S)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-butanoic acid CAS Name: (2R,3S)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2-methylbutanoic acid IUPAC Name: (2R,3S)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-methylbutanoic acid Traditional Name: (2R,3S)-3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2-methyl-butyric acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(C)C(C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)[C@@H](C)[C@@H](C)C(=O)O

InChI

InChI=1S/C22H24BrNO3/c1-13(14(2)22(25)26)21-15(3)24(12-16-5-7-17(23)8-6-16)20-10-9-18(27-4)11-19(20)21/h5-11,13-14H,12H2,1-4H3,(H,25,26)/t13-,14+/m0/s1