3-[4-[4-(azaniumylmethyl)cyclohexyl]carbonyloxyphenyl]propanoate

Systemtic Name: 3-[4-[4-(azaniumylmethyl)cyclohexyl]carbonyloxyphenyl]propanoate Openeye Name: 3-[4-[4-(azaniumylmethyl)cyclohexanecarbonyl]oxyphenyl]propanoate CAS Name: 3-[4-[[4-(ammoniomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoate IUPAC Name: 3-[4-[4-(azaniumylmethyl)cyclohexanecarbonyl]oxyphenyl]propanoate Traditional Name: 3-[4-[4-(ammoniomethyl)cyclohexanecarbonyl]oxyphenyl]propionate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C[NH3+])C(=O)OC2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

C1CC(CCC1C[NH3+])C(=O)OC2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)