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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C22H22BrN3O4/c1-14-12-16(6-7-17(14)23)24-20(27)13-29-21(28)15-8-10-26(11-9-15)22-25-18-4-2-3-5-19(18)30-22/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)