methyl 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoate

Systemtic Name: methyl 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoate Openeye Name: methyl 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoate CAS Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-[(4-nitrophenyl)methyl]amino]methyl]phenoxy]benzoate Traditional Name: 3-[3-[[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-(4-nitrobenzyl)amino]methyl]phenoxy]benzoic acid methyl ester Formula: C45H38N4O5 MolecularWeight: 714.80702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)[N+](=O)[O-])C(C4=CN=CN4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)CN(CC3=CC=C(C=C3)[N+](=O)[O-])C(C4=CN=CN4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H38N4O5/c1-53-44(50)35-14-12-22-41(28-35)54-40-21-11-13-34(27-40)31-48(30-33-23-25-39(26-24-33)49(51)52)43(42-29-46-32-47-42)45(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38/h2-29,32,43H,30-31H2,1H3,(H,46,47)