(1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate

Systemtic Name: (1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate Openeye Name: (1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate IUPAC Name: (1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S)-4-(4-aminophenyl)cyclohexane-1,2-dicarboxylate Formula: C14H15NO4-2 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C2=CC=C(C=C2)N)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@H](C[C@H]1C2=CC=C(C=C2)N)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c15-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(7-9)14(18)19/h1-2,4-5,9,11-12H,3,6-7,15H2,(H,16,17)(H,18,19)/p-2/t9-,11-,12-/m0/s1