tert-butyl 3-[3-(2-chloranylethanoylamino)-4-methyl-phenoxy]propanoate; methanamine

Systemtic Name: tert-butyl 3-[3-(2-chloranylethanoylamino)-4-methyl-phenoxy]propanoate; methanamine Openeye Name: tert-butyl 3-[3-[(2-chloroacetyl)amino]-4-methyl-phenoxy]propanoate; methanamine CAS Name: 3-[3-[(2-chloro-1-oxoethyl)amino]-4-methylphenoxy]propanoic acid tert-butyl ester; methanamine IUPAC Name: tert-butyl 3-[3-[(2-chloroacetyl)amino]-4-methylphenoxy]propanoate; methanamine Traditional Name: 3-[3-[(2-chloroacetyl)amino]-4-methyl-phenoxy]propionic acid tert-butyl ester; methylamine Formula: C17H27ClN2O4 MolecularWeight: 358.86028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(=O)OC(C)(C)C)NC(=O)CCl.CN

Isomeric SMILES

CC1=C(C=C(C=C1)OCCC(=O)OC(C)(C)C)NC(=O)CCl.CN

InChI

InChI=1S/C16H22ClNO4.CH5N/c1-11-5-6-12(9-13(11)18-14(19)10-17)21-8-7-15(20)22-16(2,3)4;1-2/h5-6,9H,7-8,10H2,1-4H3,(H,18,19);2H2,1H3