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

Systemtic Name: methyl 4-[2-[1-(diphenylmethyl)-2-(2-hydroxyethyl)-5-nitro-indol-3-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-[1-benzhydryl-2-(2-hydroxyethyl)-5-nitro-indol-3-yl]ethoxy]benzoate CAS Name: 4-[2-[1-(diphenylmethyl)-2-(2-hydroxyethyl)-5-nitro-3-indolyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-benzhydryl-2-(2-hydroxyethyl)-5-nitroindol-3-yl]ethoxy]benzoate Traditional Name: 4-[2-[1-benzhydryl-2-(2-hydroxyethyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid methyl ester Formula: C33H30N2O6 MolecularWeight: 550.6011

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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)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5)CCO

InChI

InChI=1S/C33H30N2O6/c1-40-33(37)25-12-15-27(16-13-25)41-21-19-28-29-22-26(35(38)39)14-17-30(29)34(31(28)18-20-36)32(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,22,32,36H,18-21H2,1H3