3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid

Systemtic Name: 3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid Openeye Name: 3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid CAS Name: 3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid IUPAC Name: 3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid Traditional Name: 3-[butyl(ethyl)amino]phenanthrene-1,2-dicarboxylic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=C(C(=C2C=CC3=CC=CC=C3C2=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCN(CC)C1=C(C(=C2C=CC3=CC=CC=C3C2=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C22H23NO4/c1-3-5-12-23(4-2)18-13-17-15-9-7-6-8-14(15)10-11-16(17)19(21(24)25)20(18)22(26)27/h6-11,13H,3-5,12H2,1-2H3,(H,24,25)(H,26,27)