tert-butyl N-[2-[3-(2-chloranylethanoylamino)-4-methyl-phenoxy]ethyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[2-[3-(2-chloranylethanoylamino)-4-methyl-phenoxy]ethyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-[3-[(2-chloroacetyl)amino]-4-methyl-phenoxy]ethyl]-N-methyl-carbamate CAS Name: N-[2-[3-[(2-chloro-1-oxoethyl)amino]-4-methylphenoxy]ethyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[(2-chloroacetyl)amino]-4-methylphenoxy]ethyl]-N-methylcarbamate Traditional Name: N-[2-[3-[(2-chloroacetyl)amino]-4-methyl-phenoxy]ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCN(C)C(=O)OC(C)(C)C)NC(=O)CCl

Isomeric SMILES

CC1=C(C=C(C=C1)OCCN(C)C(=O)OC(C)(C)C)NC(=O)CCl

InChI

InChI=1S/C17H25ClN2O4/c1-12-6-7-13(10-14(12)19-15(21)11-18)23-9-8-20(5)16(22)24-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,19,21)