methyl 3-[[4-(3-azanylazetidin-1-yl)phenyl]carbonyl-methyl-amino]-2-methyl-propanoate

Systemtic Name: methyl 3-[[4-(3-azanylazetidin-1-yl)phenyl]carbonyl-methyl-amino]-2-methyl-propanoate Openeye Name: methyl 3-[[4-(3-aminoazetidin-1-yl)benzoyl]-methyl-amino]-2-methyl-propanoate CAS Name: 3-[[[4-(3-amino-1-azetidinyl)phenyl]-oxomethyl]-methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-aminoazetidin-1-yl)benzoyl]-methylamino]-2-methylpropanoate Traditional Name: 3-[[4-(3-aminoazetidin-1-yl)benzoyl]-methyl-amino]-2-methyl-propionic acid methyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)C1=CC=C(C=C1)N2CC(C2)N)C(=O)OC

Isomeric SMILES

CC(CN(C)C(=O)C1=CC=C(C=C1)N2CC(C2)N)C(=O)OC

InChI

InChI=1S/C16H23N3O3/c1-11(16(21)22-3)8-18(2)15(20)12-4-6-14(7-5-12)19-9-13(17)10-19/h4-7,11,13H,8-10,17H2,1-3H3