2-[4-[5-methyl-1-(4-pentylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[5-methyl-1-(4-pentylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-(4-pentylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-(4-pentylphenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-(4-pentylphenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-amylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C31H32NO3- MolecularWeight: 466.59068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C31H33NO3/c1-3-4-6-9-24-13-17-27(18-14-24)32-23(2)12-21-29(32)26-15-19-28(20-16-26)35-30(31(33)34)22-25-10-7-5-8-11-25/h5,7-8,10-21,30H,3-4,6,9,22H2,1-2H3,(H,33,34)/p-1