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[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name:[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate
Openeye Name:[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate
CAS Name:2-methyl-4-quinolinecarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester
IUPAC Name:[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
Traditional Name:2-methylcinchoninic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester
Formula: C22H22N2O3
MolecularWeight: 362.42168
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C


Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C


InChI

InChI=1S/C22H22N2O3/c1-5-10-24-15(3)12-18(16(24)4)21(25)13-27-22(26)19-11-14(2)23-20-9-7-6-8-17(19)20/h5-9,11-12H,1,10,13H2,2-4H3


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