5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]-2-nitro-benzoic acid

Systemtic Name: 5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]-2-nitro-benzoic acid Openeye Name: 5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]-2-nitro-benzoic acid CAS Name: 5-[[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]-2-nitrobenzoic acid IUPAC Name: 5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]-2-nitrobenzoic acid Traditional Name: 5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]-2-nitro-benzoic acid Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O7/c1-36-26-18-21(11-15-25(26)37-17-7-3-6-10-20-8-4-2-5-9-20)12-16-27(31)29-22-13-14-24(30(34)35)23(19-22)28(32)33/h2,4-5,8-9,11,13-15,18-19H,3,6-7,10,12,16-17H2,1H3,(H,29,31)(H,32,33)