[2-[[8-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[8-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(1,3-diketo-8-methyl-2,4-diazaspiro[4.5]decan-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H20BrN3O5/c1-11-5-7-18(8-6-11)16(25)22(17(26)20-18)21-14(23)10-27-15(24)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,26)(H,21,23)