methyl 2-[2-bromanyl-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: methyl 2-[2-bromanyl-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: methyl 2-[2-bromo-4-[(3-oxo-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-bromo-4-[(1,3-dioxo-3-phenylpropyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(3-oxo-3-phenylpropanoyl)amino]azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-bromo-4-[(3-keto-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(CC1Br)NC(=O)CC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)OC)N1C(CC1Br)NC(=O)CC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21BrN2O4/c1-11(2)17(18(24)25-3)21-14(19)10-15(21)20-16(23)9-13(22)12-7-5-4-6-8-12/h4-8,14-15H,9-10H2,1-3H3,(H,20,23)