dimethyl 2-[(2S,4R)-2-(1H-indol-2-yl)piperidin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[(2S,4R)-2-(1H-indol-2-yl)piperidin-4-yl]propanedioate Openeye Name: dimethyl 2-[(2S,4R)-2-(1H-indol-2-yl)-4-piperidyl]propanedioate CAS Name: 2-[(2S,4R)-2-(1H-indol-2-yl)-4-piperidinyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,4R)-2-(1H-indol-2-yl)piperidin-4-yl]propanedioate Traditional Name: 2-[(2S,4R)-2-(1H-indol-2-yl)-4-piperidyl]malonic acid dimethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCNC(C1)C2=CC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC(=O)C([C@@H]1CCN[C@@H](C1)C2=CC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C18H22N2O4/c1-23-17(21)16(18(22)24-2)12-7-8-19-14(10-12)15-9-11-5-3-4-6-13(11)20-15/h3-6,9,12,14,16,19-20H,7-8,10H2,1-2H3/t12-,14+/m1/s1