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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N2O5/c1-14(2)9-10-25-17-6-4-3-5-16(17)21(26)20(23(25)28)22(27)24-12-15-7-8-18-19(11-15)30-13-29-18/h3-8,11,14,28H,9-10,12-13H2,1-2H3,(H,24,27)/p-1