3-[(4-bromophenyl)carbonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(4-bromophenyl)carbonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-bromobenzoyl)amino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-4-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(4-bromobenzoyl)amino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(4-bromobenzoyl)amino]-4-(4-carbethoxypiperazino)benzoic acid Formula: C21H22BrN3O5 MolecularWeight: 476.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O5/c1-2-30-21(29)25-11-9-24(10-12-25)18-8-5-15(20(27)28)13-17(18)23-19(26)14-3-6-16(22)7-4-14/h3-8,13H,2,9-12H2,1H3,(H,23,26)(H,27,28)