(3S)-4-azaniumyl-3-(3,4-diethoxyphenyl)butanoate

Systemtic Name: (3S)-4-azaniumyl-3-(3,4-diethoxyphenyl)butanoate Openeye Name: (3S)-4-azaniumyl-3-(3,4-diethoxyphenyl)butanoate CAS Name: (3S)-4-ammonio-3-(3,4-diethoxyphenyl)butanoate IUPAC Name: (3S)-4-azaniumyl-3-(3,4-diethoxyphenyl)butanoate Traditional Name: (3S)-4-ammonio-3-(3,4-diethoxyphenyl)butyrate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-3-18-12-6-5-10(7-13(12)19-4-2)11(9-15)8-14(16)17/h5-7,11H,3-4,8-9,15H2,1-2H3,(H,16,17)/t11-/m1/s1