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

Systemtic Name: sodium 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoate Openeye Name: sodium 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]butanoate CAS Name: sodium 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]butanoate IUPAC Name: sodium 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoate Traditional Name: sodium 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]butyrate Formula: C21H21BrNNaO3 MolecularWeight: 438.29011

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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);/q;+1/p-1