(2R,3S)-1-(phenanthren-2-ylmethyl)piperazine-2,3-dicarboxylic acid

Systemtic Name: (2R,3S)-1-(phenanthren-2-ylmethyl)piperazine-2,3-dicarboxylic acid Openeye Name: (2R,3S)-1-(2-phenanthrylmethyl)piperazine-2,3-dicarboxylic acid CAS Name: (2R,3S)-1-(2-phenanthrenylmethyl)piperazine-2,3-dicarboxylic acid IUPAC Name: (2R,3S)-1-(phenanthren-2-ylmethyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2R,3S)-1-(2-phenanthrylmethyl)piperazine-2,3-dicarboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1)C(=O)O)C(=O)O)CC2=CC3=C(C=C2)C4=CC=CC=C4C=C3

Isomeric SMILES

C1CN([C@H]([C@H](N1)C(=O)O)C(=O)O)CC2=CC3=C(C=C2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O4/c24-20(25)18-19(21(26)27)23(10-9-22-18)12-13-5-8-17-15(11-13)7-6-14-3-1-2-4-16(14)17/h1-8,11,18-19,22H,9-10,12H2,(H,24,25)(H,26,27)/t18-,19+/m0/s1