[2-[bis(phenylmethyl)amino]-3-ethyl-1-(1-methylimidazol-2-yl)-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-3-ethyl-1-(1-methylimidazol-2-yl)-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate Openeye Name: [2-(dibenzylamino)-3-ethyl-1-(1-methylimidazol-2-yl)-4-oxo-cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [2-[bis(phenylmethyl)amino]-3-ethyl-1-(1-methyl-2-imidazolyl)-4-oxo-1-cyclobut-2-enyl] ester IUPAC Name: [2-(dibenzylamino)-3-ethyl-1-(1-methylimidazol-2-yl)-4-oxocyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [2-(dibenzylamino)-3-ethyl-4-keto-1-(1-methylimidazol-2-yl)cyclobut-2-en-1-yl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C1=O)(C2=NC=CN2C)OC(=O)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(C1=O)(C2=NC=CN2C)OC(=O)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-4-22-23(26(24(22)31,32-19(2)30)25-27-15-16-28(25)3)29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16H,4,17-18H2,1-3H3