(3S)-3-azaniumyl-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-(3,4-dichlorobenzyl)oxy-3-methoxy-phenyl]propionate Formula: C17H17Cl2NO4 MolecularWeight: 370.22718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H17Cl2NO4/c1-23-16-7-11(14(20)8-17(21)22)3-5-15(16)24-9-10-2-4-12(18)13(19)6-10/h2-7,14H,8-9,20H2,1H3,(H,21,22)/t14-/m0/s1