5-oxidanylpyridine-3-carboxylic acid; 1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

Systemtic Name: 5-oxidanylpyridine-3-carboxylic acid; 1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine Openeye Name: 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine; 5-hydroxypyridine-3-carboxylic acid CAS Name: 5-hydroxy-3-pyridinecarboxylic acid; 1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine IUPAC Name: 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine; 5-hydroxypyridine-3-carboxylic acid Traditional Name: (1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)amine; 5-hydroxynicotinic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=NC3=CC=CC=C3C(=C21)N)CC4=CC=CC=C4.C1=C(C=NC=C1O)C(=O)O

Isomeric SMILES

C1CN(C2=NC3=CC=CC=C3C(=C21)N)CC4=CC=CC=C4.C1=C(C=NC=C1O)C(=O)O

InChI

InChI=1S/C18H17N3.C6H5NO3/c19-17-14-8-4-5-9-16(14)20-18-15(17)10-11-21(18)12-13-6-2-1-3-7-13;8-5-1-4(6(9)10)2-7-3-5/h1-9H,10-12H2,(H2,19,20);1-3,8H,(H,9,10)