tert-butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[[1-(4-pyridyl)-4-piperidyl]methylcarbamoyl]phenoxy]acetate CAS Name: 2-[4-[oxo-[(1-pyridin-4-yl-4-piperidinyl)methylamino]methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]acetate Traditional Name: 2-[4-[[1-(4-pyridyl)-4-piperidyl]methylcarbamoyl]phenoxy]acetic acid tert-butyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H31N3O4/c1-24(2,3)31-22(28)17-30-21-6-4-19(5-7-21)23(29)26-16-18-10-14-27(15-11-18)20-8-12-25-13-9-20/h4-9,12-13,18H,10-11,14-17H2,1-3H3,(H,26,29)