[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 2-phenoxyethanoate

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 2-phenoxyethanoate Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C29H40N2O3/c1-24-20-29(25-14-8-6-9-15-25,34-27(32)21-33-26-16-10-7-11-17-26)28(2,22-30(24)3)23-31-18-12-4-5-13-19-31/h6-11,14-17,24H,4-5,12-13,18-23H2,1-3H3