hexanedioic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)propan-1-ol

Systemtic Name: hexanedioic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)propan-1-ol Openeye Name: adipic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)propan-1-ol CAS Name: hexanedioic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)-1-propanol IUPAC Name: hexanedioic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)propan-1-ol Traditional Name: adipic acid; (1S,2R)-1-(1H-indol-3-yl)-2-(methylamino)propan-1-ol Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CNC2=CC=CC=C21)O)NC.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C[C@H]([C@H](C1=CNC2=CC=CC=C21)O)NC.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C12H16N2O.C6H10O4/c1-8(13-2)12(15)10-7-14-11-6-4-3-5-9(10)11;7-5(8)3-1-2-4-6(9)10/h3-8,12-15H,1-2H3;1-4H2,(H,7,8)(H,9,10)/t8-,12-;/m1./s1