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

Systemtic Name: (phenylmethyl) 2-[[(4-bromanyl-2-methoxy-phenyl)carbonyl-tert-butyl-amino]-methyl-carbamoyl]benzoate Openeye Name: benzyl 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]-methyl-carbamoyl]benzoate CAS Name: 2-[[[[(4-bromo-2-methoxyphenyl)-oxomethyl]-tert-butylamino]-methylamino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4-bromo-2-methoxybenzoyl)-tert-butylamino]-methylcarbamoyl]benzoate Traditional Name: 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]-methyl-carbamoyl]benzoic acid benzyl ester Formula: C28H29BrN2O5 MolecularWeight: 553.44426

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29BrN2O5/c1-28(2,3)31(26(33)23-16-15-20(29)17-24(23)35-5)30(4)25(32)21-13-9-10-14-22(21)27(34)36-18-19-11-7-6-8-12-19/h6-17H,18H2,1-5H3