4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dimethoxy-phenoxy]butanoic acid

Systemtic Name: 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[6-[[4-(cyclopropylmethyl)-1-piperazinyl]methyl]-2,3-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[6-[[4-(cyclopropylmethyl)piperazino]methyl]-2,3-dimethoxy-phenoxy]butyric acid Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3CC3)OCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3CC3)OCCCC(=O)O)OC

InChI

InChI=1S/C21H32N2O5/c1-26-18-8-7-17(20(21(18)27-2)28-13-3-4-19(24)25)15-23-11-9-22(10-12-23)14-16-5-6-16/h7-8,16H,3-6,9-15H2,1-2H3,(H,24,25)