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

Systemtic Name: hexanedioic acid; (1S,2R)-2-(methylamino)-1-(1-methylindol-3-yl)propan-1-ol Openeye Name: adipic acid; (1S,2R)-2-(methylamino)-1-(1-methylindol-3-yl)propan-1-ol CAS Name: hexanedioic acid; (1S,2R)-2-(methylamino)-1-(1-methyl-3-indolyl)-1-propanol IUPAC Name: hexanedioic acid; (1S,2R)-2-(methylamino)-1-(1-methylindol-3-yl)propan-1-ol Traditional Name: adipic acid; (1S,2R)-2-(methylamino)-1-(1-methylindol-3-yl)propan-1-ol Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CN(C2=CC=CC=C21)C)O)NC.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C[C@H]([C@H](C1=CN(C2=CC=CC=C21)C)O)NC.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C13H18N2O.C6H10O4/c1-9(14-2)13(16)11-8-15(3)12-7-5-4-6-10(11)12;7-5(8)3-1-2-4-6(9)10/h4-9,13-14,16H,1-3H3;1-4H2,(H,7,8)(H,9,10)/t9-,13-;/m1./s1