(2S)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-phenyl-propionate Formula: C18H18ClO4- MolecularWeight: 333.78612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H19ClO4/c1-3-23-17-15(19)10-12(11-16(17)22-2)9-14(18(20)21)13-7-5-4-6-8-13/h4-8,10-11,14H,3,9H2,1-2H3,(H,20,21)/p-1/t14-/m0/s1