[4-oxidanylidene-4-(quinolin-8-ylamino)butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: [4-oxidanylidene-4-(quinolin-8-ylamino)butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Openeye Name: [4-oxo-4-(8-quinolylamino)butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(hydroxymethyl)-1H-pyrrole-2-carboxylic acid [4-oxo-4-(8-quinolinylamino)butyl] ester IUPAC Name: [4-oxo-4-(quinolin-8-ylamino)butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-methylol-1H-pyrrole-2-carboxylic acid [4-keto-4-(8-quinolylamino)butyl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CCCOC(=O)C3=CC=C(N3)CO)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CCCOC(=O)C3=CC=C(N3)CO)N=CC=C2

InChI

InChI=1S/C19H19N3O4/c23-12-14-8-9-16(21-14)19(25)26-11-3-7-17(24)22-15-6-1-4-13-5-2-10-20-18(13)15/h1-2,4-6,8-10,21,23H,3,7,11-12H2,(H,22,24)