[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)C2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)C2CCCC2

InChI

InChI=1S/C18H23BrN2O4/c1-12-9-14(19)7-8-15(12)20-16(22)10-21(2)17(23)11-25-18(24)13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,20,22)