2-[4-(aminomethyl)cyclohexyl]carbonylindole-1,4-dicarboxylic acid

Systemtic Name: 2-[4-(aminomethyl)cyclohexyl]carbonylindole-1,4-dicarboxylic acid Openeye Name: 2-[4-(aminomethyl)cyclohexanecarbonyl]indole-1,4-dicarboxylic acid CAS Name: 2-[[4-(aminomethyl)cyclohexyl]-oxomethyl]indole-1,4-dicarboxylic acid IUPAC Name: 2-[4-(aminomethyl)cyclohexanecarbonyl]indole-1,4-dicarboxylic acid Traditional Name: 2-[4-(aminomethyl)cyclohexanecarbonyl]indole-1,4-dicarboxylic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)C2=CC3=C(C=CC=C3N2C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CN)C(=O)C2=CC3=C(C=CC=C3N2C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O5/c19-9-10-4-6-11(7-5-10)16(21)15-8-13-12(17(22)23)2-1-3-14(13)20(15)18(24)25/h1-3,8,10-11H,4-7,9,19H2,(H,22,23)(H,24,25)