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

Systemtic Name: 2-[4-[5-methyl-1-[(4-pentylcyclohexyl)methyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-[(4-pentylcyclohexyl)methyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-[(4-pentylcyclohexyl)methyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-[(4-pentylcyclohexyl)methyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[(4-amylcyclohexyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C32H40NO3- MolecularWeight: 486.6649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCC1CCC(CC1)CN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C32H41NO3/c1-3-4-6-9-25-13-15-27(16-14-25)23-33-24(2)12-21-30(33)28-17-19-29(20-18-28)36-31(32(34)35)22-26-10-7-5-8-11-26/h5,7-8,10-12,17-21,25,27,31H,3-4,6,9,13-16,22-23H2,1-2H3,(H,34,35)/p-1