ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]isonipecotic acid ethyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H32N2O5/c1-3-18-6-5-7-21-23(16-29-27(18)21)22(20-8-9-24-25(14-20)35-17-34-24)15-26(31)30-12-10-19(11-13-30)28(32)33-4-2/h5-9,14,16,19,22,29H,3-4,10-13,15,17H2,1-2H3