1-butyl-3-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 1-butyl-3-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]-4-oxidanylidene-quinolin-2-olate Openeye Name: 1-butyl-3-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]-4-oxo-quinolin-2-olate CAS Name: 1-butyl-3-[[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-oxomethyl]-4-oxo-2-quinolinolate IUPAC Name: 1-butyl-3-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]-4-oxoquinolin-2-olate Traditional Name: 1-butyl-3-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]-4-keto-quinolin-2-olate Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=CC=C(C=C3)C(=O)OCC[NH+](CC)CC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=CC=C(C=C3)C(=O)OCC[NH+](CC)CC

InChI

InChI=1S/C27H33N3O5/c1-4-7-16-30-22-11-9-8-10-21(22)24(31)23(26(30)33)25(32)28-20-14-12-19(13-15-20)27(34)35-18-17-29(5-2)6-3/h8-15,33H,4-7,16-18H2,1-3H3,(H,28,32)