1-(3-methylbutyl)-3-[(3-methylphenyl)carbamoyl]-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 1-(3-methylbutyl)-3-[(3-methylphenyl)carbamoyl]-4-oxidanylidene-quinolin-2-olate Openeye Name: 1-isopentyl-3-(m-tolylcarbamoyl)-4-oxo-quinolin-2-olate CAS Name: 3-[(3-methylanilino)-oxomethyl]-1-(3-methylbutyl)-4-oxo-2-quinolinolate IUPAC Name: 1-(3-methylbutyl)-3-[(3-methylphenyl)carbamoyl]-4-oxoquinolin-2-olate Traditional Name: 1-isoamyl-4-keto-3-(m-tolylcarbamoyl)quinolin-2-olate Formula: C22H23N2O3- MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CCC(C)C)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CCC(C)C)[O-]

InChI

InChI=1S/C22H24N2O3/c1-14(2)11-12-24-18-10-5-4-9-17(18)20(25)19(22(24)27)21(26)23-16-8-6-7-15(3)13-16/h4-10,13-14,27H,11-12H2,1-3H3,(H,23,26)/p-1