tert-butyl 3-[1-(2-azanylethanoyl)-4-pyridin-4-yloxy-piperidin-2-yl]-2-chloranyl-benzoate

Systemtic Name: tert-butyl 3-[1-(2-azanylethanoyl)-4-pyridin-4-yloxy-piperidin-2-yl]-2-chloranyl-benzoate Openeye Name: tert-butyl 3-[1-(2-aminoacetyl)-4-(4-pyridyloxy)-2-piperidyl]-2-chloro-benzoate CAS Name: 3-[1-(2-amino-1-oxoethyl)-4-pyridin-4-yloxy-2-piperidinyl]-2-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(2-aminoacetyl)-4-pyridin-4-yloxypiperidin-2-yl]-2-chlorobenzoate Traditional Name: 2-chloro-3-[1-glycyl-4-(4-pyridyloxy)-2-piperidyl]benzoic acid tert-butyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=CC=C1)C2CC(CCN2C(=O)CN)OC3=CC=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=CC=C1)C2CC(CCN2C(=O)CN)OC3=CC=NC=C3)Cl

InChI

InChI=1S/C23H28ClN3O4/c1-23(2,3)31-22(29)18-6-4-5-17(21(18)24)19-13-16(9-12-27(19)20(28)14-25)30-15-7-10-26-11-8-15/h4-8,10-11,16,19H,9,12-14,25H2,1-3H3