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

Systemtic Name: methyl 5-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[[3-(1H-indol-2-yl)anilino]-oxomethyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidino]-5-keto-valeric acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H29N3O4/c1-33-25(31)13-5-12-24(30)29-14-6-9-20(17-29)26(32)27-21-10-4-8-18(15-21)23-16-19-7-2-3-11-22(19)28-23/h2-4,7-8,10-11,15-16,20,28H,5-6,9,12-14,17H2,1H3,(H,27,32)/t20-/m0/s1