2-[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-chloro-4-methylanilino)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]piperazino]acetic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)O)Cl

InChI

InChI=1S/C14H18ClN3O3/c1-10-2-3-11(8-12(10)15)16-14(21)18-6-4-17(5-7-18)9-13(19)20/h2-3,8H,4-7,9H2,1H3,(H,16,21)(H,19,20)