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

Systemtic Name: ethyl 1-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C19H26BrN3O4 MolecularWeight: 440.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C19H26BrN3O4/c1-3-27-19(26)14-5-4-8-23(11-14)12-18(25)21-10-17(24)22-16-7-6-15(20)9-13(16)2/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,21,25)(H,22,24)