methyl 4-[[(4-nitrophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-nitrophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-nitrophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate CAS Name: 4-[[(4-nitrophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-nitrophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate Traditional Name: 4-[[(4-nitrobenzyl)-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O4/c1-31-25(28)23-13-9-21(10-14-23)18-26(17-5-8-20-6-3-2-4-7-20)19-22-11-15-24(16-12-22)27(29)30/h2-4,6-7,9-16H,5,8,17-19H2,1H3