2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-2-yl]acetic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CCNC(=O)C2CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CCNC(=O)C2CC(=O)O

InChI

InChI=1S/C16H22N2O4/c1-10-11(2)14(22-3)5-4-12(10)9-18-7-6-17-16(21)13(18)8-15(19)20/h4-5,13H,6-9H2,1-3H3,(H,17,21)(H,19,20)