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

Systemtic Name: (phenylmethyl) 2-[[(4-bromanyl-2-methoxy-phenyl)carbonyl-tert-butyl-amino]-ethyl-carbamoyl]benzoate Openeye Name: benzyl 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]-ethyl-carbamoyl]benzoate CAS Name: 2-[[[[(4-bromo-2-methoxyphenyl)-oxomethyl]-tert-butylamino]-ethylamino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4-bromo-2-methoxybenzoyl)-tert-butylamino]-ethylcarbamoyl]benzoate Traditional Name: 2-[[(4-bromo-2-methoxy-benzoyl)-tert-butyl-amino]-ethyl-carbamoyl]benzoic acid benzyl ester Formula: C29H31BrN2O5 MolecularWeight: 567.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31BrN2O5/c1-6-31(32(29(2,3)4)27(34)24-17-16-21(30)18-25(24)36-5)26(33)22-14-10-11-15-23(22)28(35)37-19-20-12-8-7-9-13-20/h7-18H,6,19H2,1-5H3