hexanedioic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethanamine

Systemtic Name: hexanedioic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethanamine Openeye Name: adipic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethanamine CAS Name: hexanedioic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethanamine IUPAC Name: hexanedioic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethanamine Traditional Name: adipic acid; 2-(3H-pyrrolo[3,2-f]quinolin-1-yl)ethylamine Formula: C32H36N6O4 MolecularWeight: 568.66604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=CN3)CCN)N=C1.C1=CC2=C(C=CC3=C2C(=CN3)CCN)N=C1.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=CN3)CCN)N=C1.C1=CC2=C(C=CC3=C2C(=CN3)CCN)N=C1.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/2C13H13N3.C6H10O4/c2*14-6-5-9-8-16-12-4-3-11-10(13(9)12)2-1-7-15-11;7-5(8)3-1-2-4-6(9)10/h2*1-4,7-8,16H,5-6,14H2;1-4H2,(H,7,8)(H,9,10)