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

Systemtic Name: (3R)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid Openeye Name: (3R)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid CAS Name: (3R)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]butanoic acid IUPAC Name: (3R)-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoic acid Traditional Name: (3R)-3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]butyric acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO3/c1-13(10-20(24)25)21-14(2)23(12-15-4-6-16(22)7-5-15)19-9-8-17(26-3)11-18(19)21/h4-9,11,13H,10,12H2,1-3H3,(H,24,25)/t13-/m1/s1