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

Systemtic Name: methyl 4-methyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 4-methyl-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-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]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H30N4O3/c1-19-8-6-12-21-23(19)24(25(27-21)26(32)33-2)28-22(31)18-30-16-14-29(15-17-30)13-7-11-20-9-4-3-5-10-20/h3-12,27H,13-18H2,1-2H3,(H,28,31)/b11-7+