6-[2-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-(phenylmethyl)amino]ethoxy]pyridine-3-carboxamide

Systemtic Name: 6-[2-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-(phenylmethyl)amino]ethoxy]pyridine-3-carboxamide Openeye Name: 6-[2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-benzyl-amino]ethoxy]pyridine-3-carboxamide CAS Name: 6-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-(phenylmethyl)amino]ethoxy]-3-pyridinecarboxamide IUPAC Name: 6-[2-[benzyl-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethoxy]pyridine-3-carboxamide Traditional Name: 6-[2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-benzyl-amino]ethoxy]nicotinamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN(CCOC2=NC=C(C=C2)C(=O)N)CC3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(CN(CCOC2=NC=C(C=C2)C(=O)N)CC3=CC=CC=C3)O

InChI

InChI=1S/C27H31N3O4/c1-2-8-22-11-6-7-12-25(22)34-20-24(31)19-30(18-21-9-4-3-5-10-21)15-16-33-26-14-13-23(17-29-26)27(28)32/h2-7,9-14,17,24,31H,1,8,15-16,18-20H2,(H2,28,32)