4-[7-(2-nitrophenyl)heptanoylamino]-5-(4-phenylmethoxyphenyl)pentanoic acid

Systemtic Name: 4-[7-(2-nitrophenyl)heptanoylamino]-5-(4-phenylmethoxyphenyl)pentanoic acid Openeye Name: 5-(4-benzyloxyphenyl)-4-[7-(2-nitrophenyl)heptanoylamino]pentanoic acid CAS Name: 4-[[7-(2-nitrophenyl)-1-oxoheptyl]amino]-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 4-[7-(2-nitrophenyl)heptanoylamino]-5-(4-phenylmethoxyphenyl)pentanoic acid Traditional Name: 5-(4-benzoxyphenyl)-4-[7-(2-nitrophenyl)heptanoylamino]valeric acid Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CCC(=O)O)NC(=O)CCCCCCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(CCC(=O)O)NC(=O)CCCCCCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C31H36N2O6/c34-30(15-7-2-1-6-12-26-13-8-9-14-29(26)33(37)38)32-27(18-21-31(35)36)22-24-16-19-28(20-17-24)39-23-25-10-4-3-5-11-25/h3-5,8-11,13-14,16-17,19-20,27H,1-2,6-7,12,15,18,21-23H2,(H,32,34)(H,35,36)