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

Systemtic Name: (phenylmethyl) 2-[[(4-bromanyl-2-methoxy-phenyl)carbonyl-tert-butyl-amino]carbamoyl]benzoate Openeye Name: benzyl 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]carbamoyl]benzoate CAS Name: 2-[[2-[(4-bromo-2-methoxyphenyl)-oxomethyl]-2-tert-butylhydrazinyl]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4-bromo-2-methoxybenzoyl)-tert-butylamino]carbamoyl]benzoate Traditional Name: 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]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=C(C=C(C=C1)Br)OC)NC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(C(=O)C1=C(C=C(C=C1)Br)OC)NC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrN2O5/c1-27(2,3)30(25(32)22-15-14-19(28)16-23(22)34-4)29-24(31)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)