azanyl 3-[4-(3-bromanylphenoxy)phenyl]carbonyl-4-(cyclohexylamino)-2-ethyl-benzoate

Systemtic Name: azanyl 3-[4-(3-bromanylphenoxy)phenyl]carbonyl-4-(cyclohexylamino)-2-ethyl-benzoate Openeye Name: amino 3-[4-(3-bromophenoxy)benzoyl]-4-(cyclohexylamino)-2-ethyl-benzoate CAS Name: 3-[[4-(3-bromophenoxy)phenyl]-oxomethyl]-4-(cyclohexylamino)-2-ethylbenzoic acid amino ester IUPAC Name: amino 3-[4-(3-bromophenoxy)benzoyl]-4-(cyclohexylamino)-2-ethylbenzoate Traditional Name: 3-[4-(3-bromophenoxy)benzoyl]-4-(cyclohexylamino)-2-ethyl-benzoic acid amino ester Formula: C28H29BrN2O4 MolecularWeight: 537.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)Br)NC4CCCCC4)C(=O)ON

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)Br)NC4CCCCC4)C(=O)ON

InChI

InChI=1S/C28H29BrN2O4/c1-2-23-24(28(33)35-30)15-16-25(31-20-8-4-3-5-9-20)26(23)27(32)18-11-13-21(14-12-18)34-22-10-6-7-19(29)17-22/h6-7,10-17,20,31H,2-5,8-9,30H2,1H3