tert-butyl N-[3-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methylamino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-15-6-7-16(2)18(12-15)28-20-9-8-17(14-25-20)13-24-19(26)10-11-23-21(27)29-22(3,4)5/h6-9,12,14H,10-11,13H2,1-5H3,(H,23,27)(H,24,26)