4-(4-methylpiperazin-1-yl)-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-2-(1-naphthylmethyl)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-2-(1-naphthalenylmethyl)-4-oxobutanoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-2-(naphthalen-1-ylmethyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methylpiperazino)-2-(1-naphthylmethyl)butyric acid Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H24N2O3/c1-21-9-11-22(12-10-21)19(23)14-17(20(24)25)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-14H2,1H3,(H,24,25)