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

Systemtic Name: methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-(diphenylmethyl)-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-[(Z)-(3-benzhydryl-1-butyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]-2-butyl-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-[1-butyl-3-(diphenylmethyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(Z)-(3-benzhydryl-1-butyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-butylimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[5-[(Z)-(3-benzhydryl-1-butyl-2,5-diketo-imidazolidin-4-ylidene)methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C37H40N4O4 MolecularWeight: 604.7379

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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)N3C(C4=CC=CC=C4)C5=CC=CC=C5)CCCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)/C=C\3/C(=O)N(C(=O)N3C(C4=CC=CC=C4)C5=CC=CC=C5)CCCC

InChI

InChI=1S/C37H40N4O4/c1-4-6-18-33-38-25-31(40(33)26-27-19-21-30(22-20-27)36(43)45-3)24-32-35(42)39(23-7-5-2)37(44)41(32)34(28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,19-22,24-25,34H,4-7,18,23,26H2,1-3H3/b32-24-