2-benzamido-3-[4-[3,3-diethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[4-[3,3-diethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxyphenyl]propanoic acid Openeye Name: 2-benzamido-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxo-azetidin-2-yl]oxyphenyl]propanoic acid CAS Name: 2-benzamido-3-[4-[[3,3-diethyl-4-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2-azetidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyphenyl]propanoic acid Traditional Name: 2-benzamido-3-[4-[1-(benzylcarbamoyl)-3,3-diethyl-4-keto-azetidin-2-yl]oxyphenyl]propionic acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C31H33N3O6/c1-3-31(4-2)28(38)34(30(39)32-20-22-11-7-5-8-12-22)29(31)40-24-17-15-21(16-18-24)19-25(27(36)37)33-26(35)23-13-9-6-10-14-23/h5-18,25,29H,3-4,19-20H2,1-2H3,(H,32,39)(H,33,35)(H,36,37)