6-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-1H-indole-4-carboxylic acid

Systemtic Name: 6-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-1H-indole-4-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]-1H-indole-4-carboxylic acid CAS Name: 6-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-1H-indole-4-carboxylic acid IUPAC Name: 6-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-1H-indole-4-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]-1H-indole-4-carboxylic acid Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC3=C(C=CN3)C(=C2)C(=O)O)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(N1C2=CC3=C(C=CN3)C(=C2)C(=O)O)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21ClN2O3/c1-17-7-9-25(30(17)20-14-22(27(31)32)21-11-12-29-24(21)15-20)23-13-19(28)8-10-26(23)33-16-18-5-3-2-4-6-18/h2-15,29H,16H2,1H3,(H,31,32)