3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoic acid

Systemtic Name: 3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoic acid Openeye Name: 3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoic acid CAS Name: 3-(3-cyclopentyl-4-methoxyphenyl)-2-ethoxycarbonyl-4-nitrobutanoic acid IUPAC Name: 3-(3-cyclopentyl-4-methoxyphenyl)-2-ethoxycarbonyl-4-nitrobutanoic acid Traditional Name: 2-carbethoxy-3-(3-cyclopentyl-4-methoxy-phenyl)-4-nitro-butyric acid Formula: C19H25NO7 MolecularWeight: 379.4043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)C2CCCC2)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)C2CCCC2)C(=O)O

InChI

InChI=1S/C19H25NO7/c1-3-27-19(23)17(18(21)22)15(11-20(24)25)13-8-9-16(26-2)14(10-13)12-6-4-5-7-12/h8-10,12,15,17H,3-7,11H2,1-2H3,(H,21,22)