(phenylmethyl) 2-[[(4-bromanyl-2-methoxy-phenyl)carbonylamino]-tert-butyl-carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[[(4-bromanyl-2-methoxy-phenyl)carbonylamino]-tert-butyl-carbamoyl]benzoate Openeye Name: benzyl 2-[[(4-bromo-2-methoxy-benzoyl)amino]-tert-butyl-carbamoyl]benzoate CAS Name: 2-[[[[(4-bromo-2-methoxyphenyl)-oxomethyl]amino]-tert-butylamino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4-bromo-2-methoxybenzoyl)amino]-tert-butylcarbamoyl]benzoate Traditional Name: 2-[[(4-bromo-2-methoxy-benzoyl)amino]-tert-butyl-carbamoyl]benzoic acid benzyl ester Formula: C27H27BrN2O5 MolecularWeight: 539.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)N(C(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)OC

InChI

InChI=1S/C27H27BrN2O5/c1-27(2,3)30(29-24(31)22-15-14-19(28)16-23(22)34-4)25(32)20-12-8-9-13-21(20)26(33)35-17-18-10-6-5-7-11-18/h5-16H,17H2,1-4H3,(H,29,31)