2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide Openeye Name: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide CAS Name: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide Traditional Name: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5-nitro-N-(4-phenylbutyl)benzamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])CNCCC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])CNCCC3=CC=C(C=C3)O

InChI

InChI=1S/C26H29N3O4/c30-24-13-9-21(10-14-24)15-17-27-19-22-11-12-23(29(32)33)18-25(22)26(31)28-16-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-14,18,27,30H,4-5,8,15-17,19H2,(H,28,31)