(2R)-2-azaniumyl-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethanoate Openeye Name: (2R)-2-azaniumyl-2-[3-ethoxy-4-(p-tolylmethoxy)phenyl]acetate CAS Name: (2R)-2-ammonio-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetate IUPAC Name: (2R)-2-azaniumyl-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetate Traditional Name: (2R)-2-ammonio-2-[3-ethoxy-4-(4-methylbenzyl)oxy-phenyl]acetate Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)[O-])[NH3+])OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C(=O)[O-])[NH3+])OCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H21NO4/c1-3-22-16-10-14(17(19)18(20)21)8-9-15(16)23-11-13-6-4-12(2)5-7-13/h4-10,17H,3,11,19H2,1-2H3,(H,20,21)/t17-/m1/s1