ethyl 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]isonipecotic acid ethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C4=C(NC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C4=C(NC5=CC=CC=C54)C

InChI

InChI=1S/C25H28N2O4/c1-3-29-25(28)17-10-12-27(13-11-17)24(18-8-9-21-22(14-18)31-15-30-21)23-16(2)26-20-7-5-4-6-19(20)23/h4-9,14,17,24,26H,3,10-13,15H2,1-2H3