ethyl 4-[(2S)-2-(1H-indol-2-ylcarbonylamino)pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-(1H-indol-2-ylcarbonylamino)pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(1H-indole-2-carbonylamino)pentanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(1H-indole-2-carbonylamino)pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(1H-indole-2-carbonylamino)pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCC[C@@H](C(=O)N1CCN(CC1)C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C21H28N4O4/c1-3-7-17(20(27)24-10-12-25(13-11-24)21(28)29-4-2)23-19(26)18-14-15-8-5-6-9-16(15)22-18/h5-6,8-9,14,17,22H,3-4,7,10-13H2,1-2H3,(H,23,26)/t17-/m0/s1