ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(3-quinolylamino)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-(3-quinolinylamino)ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(quinolin-3-ylamino)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(3-quinolylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC3=CC=CC=C3N=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C20H21N3O3/c1-4-26-20(25)17-9-13(2)23(14(17)3)12-19(24)22-16-10-15-7-5-6-8-18(15)21-11-16/h5-11H,4,12H2,1-3H3,(H,22,24)