methyl 5-[(3S)-3-[(1H-indol-2-ylcarbonylamino)methyl]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-[(1H-indol-2-ylcarbonylamino)methyl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[(1H-indole-2-carbonylamino)methyl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[[[1H-indol-2-yl(oxo)methyl]amino]methyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[(1H-indole-2-carbonylamino)methyl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-[(3S)-3-[(1H-indole-2-carbonylamino)methyl]piperidino]-5-keto-valeric acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCC(C1)CNC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@H](C1)CNC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C21H27N3O4/c1-28-20(26)10-4-9-19(25)24-11-5-6-15(14-24)13-22-21(27)18-12-16-7-2-3-8-17(16)23-18/h2-3,7-8,12,15,23H,4-6,9-11,13-14H2,1H3,(H,22,27)/t15-/m0/s1