(2S)-3-(3-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-methoxy-4-pentoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-methoxy-4-pentoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(4-amoxy-3-methoxy-phenyl)-2-phenyl-propionate Formula: C21H25O4- MolecularWeight: 341.4208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H26O4/c1-3-4-8-13-25-19-12-11-16(15-20(19)24-2)14-18(21(22)23)17-9-6-5-7-10-17/h5-7,9-12,15,18H,3-4,8,13-14H2,1-2H3,(H,22,23)/p-1/t18-/m0/s1