(5R)-5-azaniumyl-5-(4-propan-2-yloxyphenyl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(4-propan-2-yloxyphenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(4-isopropoxyphenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(4-propan-2-yloxyphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(4-propan-2-yloxyphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(4-isopropoxyphenyl)valerate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CCCC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](CCCC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H21NO3/c1-10(2)18-12-8-6-11(7-9-12)13(15)4-3-5-14(16)17/h6-10,13H,3-5,15H2,1-2H3,(H,16,17)/t13-/m1/s1