[2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate

Systemtic Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CNC3=CC=CC=C32)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CNC3=CC=CC=C32)CCCOC)C

InChI

InChI=1S/C22H24N4O4/c1-14-15(2)26(9-6-10-29-3)21(17(14)11-23)25-20(27)13-30-22(28)18-12-24-19-8-5-4-7-16(18)19/h4-5,7-8,12,24H,6,9-10,13H2,1-3H3,(H,25,27)