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

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid; sodium Openeye Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoic acid; sodium CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]butanoic acid; sodium IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoic acid; sodium Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]butyric acid; sodium Formula: C21H22BrNNaO3 MolecularWeight: 439.29805

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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.[Na]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(C)CC(=O)O.[Na]

InChI

InChI=1S/C21H22BrNO3.Na/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);