methyl 4-[[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CN3C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CN3C

InChI

InChI=1S/C21H28N4O3/c1-23-11-13-25(14-12-23)19(18-5-4-10-24(18)2)15-22-20(26)16-6-8-17(9-7-16)21(27)28-3/h4-10,19H,11-15H2,1-3H3,(H,22,26)