N-butyl-3-[(2,4-dimethoxyphenyl)-oxidanyl-pyren-1-yl-methyl]benzamide

Systemtic Name: N-butyl-3-[(2,4-dimethoxyphenyl)-oxidanyl-pyren-1-yl-methyl]benzamide Openeye Name: N-butyl-3-[(2,4-dimethoxyphenyl)-hydroxy-pyren-1-yl-methyl]benzamide CAS Name: N-butyl-3-[(2,4-dimethoxyphenyl)-hydroxy-(1-pyrenyl)methyl]benzamide IUPAC Name: N-butyl-3-[(2,4-dimethoxyphenyl)-hydroxy-pyren-1-ylmethyl]benzamide Traditional Name: N-butyl-3-[(2,4-dimethoxyphenyl)-hydroxy-pyren-1-yl-methyl]benzamide Formula: C36H33NO4 MolecularWeight: 543.65152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)C(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)(C6=C(C=C(C=C6)OC)OC)O

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)C(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)(C6=C(C=C(C=C6)OC)OC)O

InChI

InChI=1S/C36H33NO4/c1-4-5-20-37-35(38)26-10-7-11-27(21-26)36(39,31-19-16-28(40-2)22-32(31)41-3)30-18-15-25-13-12-23-8-6-9-24-14-17-29(30)34(25)33(23)24/h6-19,21-22,39H,4-5,20H2,1-3H3,(H,37,38)