ethyl 2-[(3S,4R)-1-[3-(diphenylmethyl)oxypropyl]-3-ethyl-piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,4R)-1-[3-(diphenylmethyl)oxypropyl]-3-ethyl-piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[(3S,4R)-1-(3-benzhydryloxypropyl)-3-ethyl-4-piperidyl]acetate CAS Name: 2-[(3S,4R)-1-[3-(diphenylmethyl)oxypropyl]-3-ethyl-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4R)-1-(3-benzhydryloxypropyl)-3-ethylpiperidin-4-yl]acetate Traditional Name: 2-[(3S,4R)-1-(3-benzhydryloxypropyl)-3-ethyl-4-piperidyl]acetic acid ethyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)OCC)CCCOC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1CN(CC[C@@H]1CC(=O)OCC)CCCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H37NO3/c1-3-22-21-28(18-16-25(22)20-26(29)30-4-2)17-11-19-31-27(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,22,25,27H,3-4,11,16-21H2,1-2H3/t22-,25-/m1/s1