methyl 2-bromanyl-3-cyclohexyl-1-[2-(2-phenylmethoxyphenoxy)ethyl]indole-6-carboxylate

Systemtic Name: methyl 2-bromanyl-3-cyclohexyl-1-[2-(2-phenylmethoxyphenoxy)ethyl]indole-6-carboxylate Openeye Name: methyl 1-[2-(2-benzyloxyphenoxy)ethyl]-2-bromo-3-cyclohexyl-indole-6-carboxylate CAS Name: 2-bromo-3-cyclohexyl-1-[2-(2-phenylmethoxyphenoxy)ethyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-bromo-3-cyclohexyl-1-[2-(2-phenylmethoxyphenoxy)ethyl]indole-6-carboxylate Traditional Name: 1-[2-(2-benzoxyphenoxy)ethyl]-2-bromo-3-cyclohexyl-indole-6-carboxylic acid methyl ester Formula: C31H32BrNO4 MolecularWeight: 562.49408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(N2CCOC3=CC=CC=C3OCC4=CC=CC=C4)Br)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(N2CCOC3=CC=CC=C3OCC4=CC=CC=C4)Br)C5CCCCC5

InChI

InChI=1S/C31H32BrNO4/c1-35-31(34)24-16-17-25-26(20-24)33(30(32)29(25)23-12-6-3-7-13-23)18-19-36-27-14-8-9-15-28(27)37-21-22-10-4-2-5-11-22/h2,4-5,8-11,14-17,20,23H,3,6-7,12-13,18-19,21H2,1H3