ethyl 5-ethoxy-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H34N4O4/c1-3-35-22-12-13-24-23(19-22)26(27(29-24)28(34)36-4-2)30-25(33)20-32-17-15-31(16-18-32)14-8-11-21-9-6-5-7-10-21/h5-13,19,29H,3-4,14-18,20H2,1-2H3,(H,30,33)/b11-8+