[4-(4-pentylphenyl)phenyl] 4-[2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate

Systemtic Name: [4-(4-pentylphenyl)phenyl] 4-[2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 4-[2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoate CAS Name: 4-[2-amino-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 4-[2-amino-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoate Traditional Name: 4-[2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C38H44N2O5 MolecularWeight: 608.76636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)CCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)CCCCC)[N+](=O)[O-]

InChI

InChI=1S/C38H44N2O5/c1-4-6-8-10-11-27(3)44-37-26-35(39)34(25-36(37)40(42)43)31-17-19-32(20-18-31)38(41)45-33-23-21-30(22-24-33)29-15-13-28(14-16-29)12-9-7-5-2/h13-27H,4-12,39H2,1-3H3/t27-/m1/s1