3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-3-oxidanyl-propanoic acid

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2-methyl-3-oxidanyl-propanoic acid Openeye Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-hydroxy-2-methyl-propanoic acid CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-3-hydroxy-2-methylpropanoic acid IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-hydroxy-2-methylpropanoic acid Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-3-hydroxy-2-methyl-propionic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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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(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-12(21(25)26)20(24)19-13(2)23(11-14-4-6-15(22)7-5-14)18-9-8-16(27-3)10-17(18)19/h4-10,12,20,24H,11H2,1-3H3,(H,25,26)