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

Systemtic Name: 2-[4-[1-[4-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[4-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[4-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[4-[(4-butylcyclohexyl)methoxy]phenyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[4-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C37H42NO4- MolecularWeight: 564.73368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)COC2=CC=C(C=C2)N3C(=CC=C3C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-])C

Isomeric SMILES

CCCCC1CCC(CC1)COC2=CC=C(C=C2)N3C(=CC=C3C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-])C

InChI

InChI=1S/C37H43NO4/c1-3-4-8-28-12-14-30(15-13-28)26-41-33-22-18-32(19-23-33)38-27(2)11-24-35(38)31-16-20-34(21-17-31)42-36(37(39)40)25-29-9-6-5-7-10-29/h5-7,9-11,16-24,28,30,36H,3-4,8,12-15,25-26H2,1-2H3,(H,39,40)/p-1