1-[2-[2-(aminocarbonylamino)-4-chloranyl-phenoxy]ethanoyl]-4-(4-chloranyl-3-methoxy-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-(aminocarbonylamino)-4-chloranyl-phenoxy]ethanoyl]-4-(4-chloranyl-3-methoxy-phenyl)piperidine-3-carboxylic acid Openeye Name: 4-(4-chloro-3-methoxy-phenyl)-1-[2-(4-chloro-2-ureido-phenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(carbamoylamino)-4-chlorophenoxy]-1-oxoethyl]-4-(4-chloro-3-methoxyphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(carbamoylamino)-4-chlorophenoxy]acetyl]-4-(4-chloro-3-methoxyphenyl)piperidine-3-carboxylic acid Traditional Name: 4-(4-chloro-3-methoxy-phenyl)-1-[2-(4-chloro-2-ureido-phenoxy)acetyl]nipecotic acid Formula: C22H23Cl2N3O6 MolecularWeight: 496.34052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CCN(CC2C(=O)O)C(=O)COC3=C(C=C(C=C3)Cl)NC(=O)N)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2CCN(CC2C(=O)O)C(=O)COC3=C(C=C(C=C3)Cl)NC(=O)N)Cl

InChI

InChI=1S/C22H23Cl2N3O6/c1-32-19-8-12(2-4-16(19)24)14-6-7-27(10-15(14)21(29)30)20(28)11-33-18-5-3-13(23)9-17(18)26-22(25)31/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H,29,30)(H3,25,26,31)