calcium 5-ethyl-3-[ethyl(phenyl)carbamoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: calcium 5-ethyl-3-[ethyl(phenyl)carbamoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: calcium 5-ethyl-3-[ethyl(phenyl)carbamoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: calcium 5-ethyl-3-[(N-ethylanilino)-oxomethyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: calcium 5-ethyl-3-[ethyl(phenyl)carbamoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: calcium 5-ethyl-3-[ethyl(phenyl)carbamoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C42H42CaN4O6 MolecularWeight: 738.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)N(CC)C3=CC=CC=C3)[O-])C.CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)N(CC)C3=CC=CC=C3)[O-])C.[Ca+2]

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)N(CC)C3=CC=CC=C3)[O-])C.CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)N(CC)C3=CC=CC=C3)[O-])C.[Ca+2]

InChI

InChI=1S/2C21H22N2O3.Ca/c2*1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15;/h2*6-13,25H,4-5H2,1-3H3;/q;;+2/p-2