ethyl 2-[4-[[3-tert-butyl-4-(2-piperidin-4-ylethanoyl)piperazin-1-yl]-phenyl-methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[[3-tert-butyl-4-(2-piperidin-4-ylethanoyl)piperazin-1-yl]-phenyl-methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[[3-tert-butyl-4-[2-(4-piperidyl)acetyl]piperazin-1-yl]-phenyl-methyl]phenoxy]acetate CAS Name: 2-[4-[[3-tert-butyl-4-[1-oxo-2-(4-piperidinyl)ethyl]-1-piperazinyl]-phenylmethyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-tert-butyl-4-(2-piperidin-4-ylacetyl)piperazin-1-yl]-phenylmethyl]phenoxy]acetate Traditional Name: 2-[4-[[3-tert-butyl-4-[2-(4-piperidyl)acetyl]piperazino]-phenyl-methyl]phenoxy]acetic acid ethyl ester Formula: C32H45N3O4 MolecularWeight: 535.7174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(C(C3)C(C)(C)C)C(=O)CC4CCNCC4

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(C(C3)C(C)(C)C)C(=O)CC4CCNCC4

InChI

InChI=1S/C32H45N3O4/c1-5-38-30(37)23-39-27-13-11-26(12-14-27)31(25-9-7-6-8-10-25)34-19-20-35(28(22-34)32(2,3)4)29(36)21-24-15-17-33-18-16-24/h6-14,24,28,31,33H,5,15-23H2,1-4H3