3-[(2-methoxyphenyl)methyl]-2-oxidanylidene-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenoxy]azetidine-1-carboxylic acid

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-2-oxidanylidene-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenoxy]azetidine-1-carboxylic acid Openeye Name: 3-[(2-methoxyphenyl)methyl]-2-oxo-4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenoxy]azetidine-1-carboxylic acid CAS Name: 3-[(2-methoxyphenyl)methyl]-2-oxo-4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]-1-azetidinecarboxylic acid IUPAC Name: 3-[(2-methoxyphenyl)methyl]-2-oxo-4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenoxy]azetidine-1-carboxylic acid Traditional Name: 2-keto-3-o-anisyl-4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenoxy]azetidine-1-carboxylic acid Formula: C27H27N5O6 MolecularWeight: 517.53318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2C(N(C2=O)C(=O)O)OC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1CC2C(N(C2=O)C(=O)O)OC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H27N5O6/c1-37-22-6-3-2-5-19(22)17-21-24(34)32(27(35)36)25(21)38-20-9-7-18(8-10-20)23(33)30-13-15-31(16-14-30)26-28-11-4-12-29-26/h2-12,21,25H,13-17H2,1H3,(H,35,36)