4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-N,N-bis(phenylmethyl)butanamide

Systemtic Name: 4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-N,N-bis(phenylmethyl)butanamide Openeye Name: N,N-dibenzyl-4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanamide CAS Name: 4-[3-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-bis(phenylmethyl)butanamide IUPAC Name: N,N-dibenzyl-4-[3-(1-hydroxyethyl)-4-nitrophenoxy]butanamide Traditional Name: N,N-dibenzyl-4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butyramide Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C=CC(=C1)OCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C26H28N2O5/c1-20(29)24-17-23(14-15-25(24)28(31)32)33-16-8-13-26(30)27(18-21-9-4-2-5-10-21)19-22-11-6-3-7-12-22/h2-7,9-12,14-15,17,20,29H,8,13,16,18-19H2,1H3