methyl 4-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[[3-(1H-indol-2-yl)anilino]-oxomethyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-[(3S)-3-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidino]-4-keto-butyric acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-32-24(30)12-11-23(29)28-13-5-8-19(16-28)25(31)26-20-9-4-7-17(14-20)22-15-18-6-2-3-10-21(18)27-22/h2-4,6-7,9-10,14-15,19,27H,5,8,11-13,16H2,1H3,(H,26,31)/t19-/m0/s1