[1-(diethylamino)-1-oxidanylidene-dodecan-2-yl] (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate

Systemtic Name: [1-(diethylamino)-1-oxidanylidene-dodecan-2-yl] (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate Openeye Name: 1-(diethylcarbamoyl)undecyl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-acetate CAS Name: (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitrosoacetic acid [1-(diethylamino)-1-oxododecan-2-yl] ester IUPAC Name: [1-(diethylamino)-1-oxododecan-2-yl] (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitrosoacetate Traditional Name: (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-acetic acid 1-(diethylcarbamoyl)undecyl ester Formula: C34H55N3O4 MolecularWeight: 569.8182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)N(CC)CC)OC(=O)C(=C1C2=C(C(=CC=C2)C)C(CN1)(CCC)CCC)N=O

Isomeric SMILES

CCCCCCCCCCC(C(=O)N(CC)CC)OC(=O)/C(=C/1\C2=C(C(=CC=C2)C)C(CN1)(CCC)CCC)/N=O

InChI

InChI=1S/C34H55N3O4/c1-7-12-13-14-15-16-17-18-22-28(32(38)37(10-4)11-5)41-33(39)31(36-40)30-27-21-19-20-26(6)29(27)34(23-8-2,24-9-3)25-35-30/h19-21,28,35H,7-18,22-25H2,1-6H3/b31-30-