methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-bis(oxidanylidene)-3-(pyridin-2-ylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-bis(oxidanylidene)-3-(pyridin-2-ylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-(2-pyridylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-(2-pyridinylmethyl)-4-imidazolidinylidene]methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-diketo-3-(2-pyridylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C30H35N5O4 MolecularWeight: 529.63

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C=C3C(=O)N(C(=O)N3CC4=CC=CC=N4)CCCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)/C=C\3/C(=O)N(C(=O)N3CC4=CC=CC=N4)CCCC

InChI

InChI=1S/C30H35N5O4/c1-4-6-11-27-32-19-25(34(27)20-22-12-14-23(15-13-22)29(37)39-3)18-26-28(36)33(17-7-5-2)30(38)35(26)21-24-10-8-9-16-31-24/h8-10,12-16,18-19H,4-7,11,17,20-21H2,1-3H3/b26-18-