methyl (2Z)-3-oxidanylidene-2-[4-phenyl-1-(phenylmethyl)imidazolidin-2-ylidene]octanoate

Systemtic Name: methyl (2Z)-3-oxidanylidene-2-[4-phenyl-1-(phenylmethyl)imidazolidin-2-ylidene]octanoate Openeye Name: methyl (2Z)-2-(1-benzyl-4-phenyl-imidazolidin-2-ylidene)-3-oxo-octanoate CAS Name: (2Z)-3-oxo-2-[4-phenyl-1-(phenylmethyl)-2-imidazolidinylidene]octanoic acid methyl ester IUPAC Name: methyl (2Z)-2-(1-benzyl-4-phenylimidazolidin-2-ylidene)-3-oxooctanoate Traditional Name: (2Z)-2-(1-benzyl-4-phenyl-imidazolidin-2-ylidene)-3-keto-caprylic acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=C1NC(CN1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCC(=O)/C(=C/1\NC(CN1CC2=CC=CC=C2)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C25H30N2O3/c1-3-4-7-16-22(28)23(25(29)30-2)24-26-21(20-14-10-6-11-15-20)18-27(24)17-19-12-8-5-9-13-19/h5-6,8-15,21,26H,3-4,7,16-18H2,1-2H3/b24-23-