3-acetamido-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-acetamido-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 3-acetamido-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-acetamido-4-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 3-acetamido-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 3-acetamido-4-(4-carbethoxypiperazino)benzoic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C

InChI

InChI=1S/C16H21N3O5/c1-3-24-16(23)19-8-6-18(7-9-19)14-5-4-12(15(21)22)10-13(14)17-11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,20)(H,21,22)