methyl 3-[2-methoxy-4-(3-pyrrol-1-ylphenyl)phenyl]propanoate

Systemtic Name: methyl 3-[2-methoxy-4-(3-pyrrol-1-ylphenyl)phenyl]propanoate Openeye Name: methyl 3-[2-methoxy-4-(3-pyrrol-1-ylphenyl)phenyl]propanoate CAS Name: 3-[2-methoxy-4-[3-(1-pyrrolyl)phenyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-methoxy-4-(3-pyrrol-1-ylphenyl)phenyl]propanoate Traditional Name: 3-[2-methoxy-4-(3-pyrrol-1-ylphenyl)phenyl]propionic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=CC=C2)N3C=CC=C3)CCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=CC=C2)N3C=CC=C3)CCC(=O)OC

InChI

InChI=1S/C21H21NO3/c1-24-20-15-18(9-8-16(20)10-11-21(23)25-2)17-6-5-7-19(14-17)22-12-3-4-13-22/h3-9,12-15H,10-11H2,1-2H3