(diphenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-3-methyl-but-2-enoate hydrochloride

Systemtic Name: (diphenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-3-methyl-but-2-enoate hydrochloride Openeye Name: benzhydryl 2-(3-amino-2-oxo-azetidin-1-yl)-3-methyl-but-2-enoate hydrochloride CAS Name: 2-(3-amino-2-oxo-1-azetidinyl)-3-methyl-2-butenoic acid (diphenylmethyl) ester hydrochloride IUPAC Name: benzhydryl 2-(3-amino-2-oxoazetidin-1-yl)-3-methylbut-2-enoate hydrochloride Traditional Name: 2-(3-amino-2-keto-azetidin-1-yl)-3-methyl-but-2-enoic acid benzhydryl ester hydrochloride Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3CC(C3=O)N)C.Cl

Isomeric SMILES

CC(=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3CC(C3=O)N)C.Cl

InChI

InChI=1S/C21H22N2O3.ClH/c1-14(2)18(23-13-17(22)20(23)24)21(25)26-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17,19H,13,22H2,1-2H3;1H