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

Systemtic Name: 3-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]-4-oxidanylidene-1-prop-2-enyl-quinolin-2-olate Openeye Name: 1-allyl-3-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]-4-oxo-quinolin-2-olate CAS Name: 3-[[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-oxomethyl]-4-oxo-1-prop-2-enyl-2-quinolinolate IUPAC Name: 3-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]-4-oxo-1-prop-2-enylquinolin-2-olate Traditional Name: 1-allyl-3-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]-4-keto-quinolin-2-olate Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)[O-]

InChI

InChI=1S/C26H29N3O5/c1-4-15-29-21-10-8-7-9-20(21)23(30)22(25(29)32)24(31)27-19-13-11-18(12-14-19)26(33)34-17-16-28(5-2)6-3/h4,7-14,32H,1,5-6,15-17H2,2-3H3,(H,27,31)