undecan-4-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate

Systemtic Name: undecan-4-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate Openeye Name: 1-propyloctyl (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 undecan-4-yl ester IUPAC Name: undecan-4-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-propyloctyl ester Formula: C29H46N2O3 MolecularWeight: 470.68714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O3/c1-6-10-11-12-13-17-23(15-7-2)34-28(32)27(31-33)26-24-18-14-16-22(5)25(24)29(19-8-3,20-9-4)21-30-26/h14,16,18,23,30H,6-13,15,17,19-21H2,1-5H3/b27-26-