methyl 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoate Openeye Name: methyl 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoate CAS Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoate Traditional Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propionic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C22H25NO3/c1-3-4-13-26-21-9-5-16(6-10-22(24)25-2)14-19(21)17-7-8-20-18(15-17)11-12-23-20/h5,7-9,11-12,14-15,23H,3-4,6,10,13H2,1-2H3