methyl 4-[2-[2-bromanyl-5-chloranyl-1-(diphenylmethyl)indol-3-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-[2-bromanyl-5-chloranyl-1-(diphenylmethyl)indol-3-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-(1-benzhydryl-2-bromo-5-chloro-indol-3-yl)ethoxy]benzoate CAS Name: 4-[2-[2-bromo-5-chloro-1-(diphenylmethyl)-3-indolyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-benzhydryl-2-bromo-5-chloroindol-3-yl)ethoxy]benzoate Traditional Name: 4-[2-(1-benzhydryl-2-bromo-5-chloro-indol-3-yl)ethoxy]benzoic acid methyl ester Formula: C31H25BrClNO3 MolecularWeight: 574.8921

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCC2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C31H25BrClNO3/c1-36-31(35)23-12-15-25(16-13-23)37-19-18-26-27-20-24(33)14-17-28(27)34(30(26)32)29(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-17,20,29H,18-19H2,1H3