[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-[2-(isopropylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-oxo-2-(propan-2-ylamino)ethyl]-1-cyclopentanecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(isopropylamino)-2-keto-ethyl]cyclopentanecarboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2(CCCC2)CC(=O)NC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2(CCCC2)CC(=O)NC(C)C)Br

InChI

InChI=1S/C20H27BrN2O4/c1-13(2)22-17(24)11-20(8-4-5-9-20)19(26)27-12-18(25)23-15-6-7-16(21)14(3)10-15/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,22,24)(H,23,25)