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

Systemtic Name: dodecan-3-yl (2Z)-2-(5-methyl-4,4-dipropyl-2,3-dihydroisoquinolin-1-ylidene)-2-nitroso-ethanoate Openeye Name: 1-ethyldecyl (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 dodecan-3-yl ester IUPAC Name: dodecan-3-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-ethyldecyl ester Formula: C30H48N2O3 MolecularWeight: 484.71372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48N2O3/c1-6-10-11-12-13-14-15-18-24(9-4)35-29(33)28(32-34)27-25-19-16-17-23(5)26(25)30(20-7-2,21-8-3)22-31-27/h16-17,19,24,31H,6-15,18,20-22H2,1-5H3/b28-27-