ethyl 5,6-dimethoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C29H37N4O5+ MolecularWeight: 521.62788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H36N4O5/c1-4-38-29(35)28-27(22-19-24(36-2)25(37-3)20-23(22)30-28)31-26(34)12-14-33-17-15-32(16-18-33)13-8-11-21-9-6-5-7-10-21/h5-11,19-20,30H,4,12-18H2,1-3H3,(H,31,34)/p+1/b11-8+