ethyl 5-ethoxy-3-[2-(4-ethoxycarbonylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-(4-ethoxycarbonylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-ethoxy-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazino)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H30N4O6/c1-4-30-15-7-8-17-16(13-15)19(20(23-17)21(28)31-5-2)24-18(27)14-25-9-11-26(12-10-25)22(29)32-6-3/h7-8,13,23H,4-6,9-12,14H2,1-3H3,(H,24,27)