[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H22N2O3/c1-12(2)19-10-17(15-7-5-6-8-18(15)23-19)21(25)26-11-20(24)16-9-13(3)22-14(16)4/h5-10,12,22H,11H2,1-4H3