propyl 3-[4-[2-(2-methyl-5-phenyl-pyrrol-1-yl)ethoxy]phenyl]-2-propoxy-propanoate

Systemtic Name: propyl 3-[4-[2-(2-methyl-5-phenyl-pyrrol-1-yl)ethoxy]phenyl]-2-propoxy-propanoate Openeye Name: propyl 3-[4-[2-(2-methyl-5-phenyl-pyrrol-1-yl)ethoxy]phenyl]-2-propoxy-propanoate CAS Name: 3-[4-[2-(2-methyl-5-phenyl-1-pyrrolyl)ethoxy]phenyl]-2-propoxypropanoic acid propyl ester IUPAC Name: propyl 3-[4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]-2-propoxypropanoate Traditional Name: 3-[4-[2-(2-methyl-5-phenyl-pyrrol-1-yl)ethoxy]phenyl]-2-propoxy-propionic acid propyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CC=C3)C)C(=O)OCCC

Isomeric SMILES

CCCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CC=C3)C)C(=O)OCCC

InChI

InChI=1S/C28H35NO4/c1-4-18-32-27(28(30)33-19-5-2)21-23-12-14-25(15-13-23)31-20-17-29-22(3)11-16-26(29)24-9-7-6-8-10-24/h6-16,27H,4-5,17-21H2,1-3H3