3-(2-dimethylaminoethyl)-1H-indol-5-ol; hexanedioic acid

Systemtic Name: 3-(2-dimethylaminoethyl)-1H-indol-5-ol; hexanedioic acid Openeye Name: adipic acid; 3-(2-dimethylaminoethyl)-1H-indol-5-ol CAS Name: 3-(2-dimethylaminoethyl)-1H-indol-5-ol; hexanedioic acid IUPAC Name: 3-(2-dimethylaminoethyl)-1H-indol-5-ol; hexanedioic acid Traditional Name: adipic acid; 3-(2-dimethylaminoethyl)-1H-indol-5-ol Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)O.CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)O.CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/2C12H16N2O.C6H10O4/c2*1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;7-5(8)3-1-2-4-6(9)10/h2*3-4,7-8,13,15H,5-6H2,1-2H3;1-4H2,(H,7,8)(H,9,10)