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

Systemtic Name: [2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[1-(2-amino-2-oxo-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[1-(2-amino-2-oxoethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-amino-2-oxoethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[1-(2-amino-2-keto-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-12-8-17(15-6-4-5-7-18(15)23-12)21(27)28-11-19(25)16-9-13(2)24(14(16)3)10-20(22)26/h4-9H,10-11H2,1-3H3,(H2,22,26)