2-cyclohexyl-2-[4-[ethyl-[(4-methoxyphenyl)methyl]amino]but-1-ynoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[4-[ethyl-[(4-methoxyphenyl)methyl]amino]but-1-ynoxy]-2-phenyl-ethanoic acid Openeye Name: 2-cyclohexyl-2-[4-[ethyl-[(4-methoxyphenyl)methyl]amino]but-1-ynoxy]-2-phenyl-acetic acid CAS Name: 2-cyclohexyl-2-[4-[ethyl-[(4-methoxyphenyl)methyl]amino]but-1-ynoxy]-2-phenylacetic acid IUPAC Name: 2-cyclohexyl-2-[4-[ethyl-[(4-methoxyphenyl)methyl]amino]but-1-ynoxy]-2-phenylacetic acid Traditional Name: 2-cyclohexyl-2-[4-[ethyl(p-anisyl)amino]but-1-ynoxy]-2-phenyl-acetic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#COC(C1CCCCC1)(C2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CCC#COC(C1CCCCC1)(C2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35NO4/c1-3-29(22-23-16-18-26(32-2)19-17-23)20-10-11-21-33-28(27(30)31,24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4,6-7,12-13,16-19,25H,3,5,8-10,14-15,20,22H2,1-2H3,(H,30,31)