2-[4-[1-[(4-cyclohexylphenyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[1-[(4-cyclohexylphenyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[(4-cyclohexylphenyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[(4-cyclohexylphenyl)methyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[(4-cyclohexylphenyl)methyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-(4-cyclohexylbenzyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C33H35NO3 MolecularWeight: 493.6359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(N1CC2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H35NO3/c1-24-12-21-31(34(24)23-26-13-15-28(16-14-26)27-10-6-3-7-11-27)29-17-19-30(20-18-29)37-32(33(35)36)22-25-8-4-2-5-9-25/h2,4-5,8-9,12-21,27,32H,3,6-7,10-11,22-23H2,1H3,(H,35,36)