3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-1-pentyl-quinolin-2-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-1-pentyl-quinolin-2-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-1-pentyl-quinolin-2-olate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-oxo-1-pentyl-2-quinolinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-1-pentylquinolin-2-olate Traditional Name: 1-amyl-4-keto-3-(piperonylcarbamoyl)quinolin-2-olate Formula: C23H23N2O5- MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N2O5/c1-2-3-6-11-25-17-8-5-4-7-16(17)21(26)20(23(25)28)22(27)24-13-15-9-10-18-19(12-15)30-14-29-18/h4-5,7-10,12,28H,2-3,6,11,13-14H2,1H3,(H,24,27)/p-1