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

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

Systemtic Name:(3S)-3-azaniumyl-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoate
Openeye Name:(3S)-3-azaniumyl-3-[3-methoxy-4-(p-tolylmethoxy)phenyl]propanoate
CAS Name:(3S)-3-ammonio-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoate
IUPAC Name:(3S)-3-azaniumyl-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoate
Traditional Name:(3S)-3-ammonio-3-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]propionate
Formula: C18H21NO4
MolecularWeight: 315.36364
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(CC(=O)[O-])[NH3+])OC


Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@H](CC(=O)[O-])[NH3+])OC


InChI

InChI=1S/C18H21NO4/c1-12-3-5-13(6-4-12)11-23-16-8-7-14(9-17(16)22-2)15(19)10-18(20)21/h3-9,15H,10-11,19H2,1-2H3,(H,20,21)/t15-/m0/s1


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