5-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-(phenylmethyl)amino]pentyl ethanoate

Systemtic Name: 5-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl-(phenylmethyl)amino]pentyl ethanoate Openeye Name: 5-[benzyl-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl]amino]pentyl acetate CAS Name: acetic acid 5-[[4-[3-(1-hydroxyethyl)-4-nitrophenoxy]-1-oxobutyl]-(phenylmethyl)amino]pentyl ester IUPAC Name: 5-[benzyl-[4-[3-(1-hydroxyethyl)-4-nitrophenoxy]butanoyl]amino]pentyl acetate Traditional Name: acetic acid 5-[benzyl-[4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]butanoyl]amino]pentyl ester Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O7/c1-20(29)24-18-23(13-14-25(24)28(32)33)35-17-9-12-26(31)27(19-22-10-5-3-6-11-22)15-7-4-8-16-34-21(2)30/h3,5-6,10-11,13-14,18,20,29H,4,7-9,12,15-17,19H2,1-2H3