2-azanyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-methyl-3-(4-methylpiperazine-1-carbonyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-hydroxy-2-methyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-methyl-3-(4-methylpiperazine-1-carbonyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-hydroxy-2-methyl-3-(4-methylpiperazine-1-carbonyl)phenyl]propionic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)N2CCN(CC2)C)O)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)N2CCN(CC2)C)O)CC(C(=O)O)N

InChI

InChI=1S/C16H23N3O4/c1-10-11(9-12(17)16(22)23)3-4-13(20)14(10)15(21)19-7-5-18(2)6-8-19/h3-4,12,20H,5-9,17H2,1-2H3,(H,22,23)