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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-methylpiperazin-1-yl)-4-(1-naphthylamino)-4-oxo-butanoic acid CAS Name: 2-(4-methyl-1-piperazinyl)-4-(1-naphthalenylamino)-4-oxobutanoic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-4-(naphthalen-1-ylamino)-4-oxobutanoic acid Traditional Name: 4-keto-2-(4-methylpiperazino)-4-(1-naphthylamino)butyric acid Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H23N3O3/c1-21-9-11-22(12-10-21)17(19(24)25)13-18(23)20-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,17H,9-13H2,1H3,(H,20,23)(H,24,25)