ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3-indolyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H31N3O5/c1-3-28-17-22(20-7-5-6-8-23(20)28)21(19-9-10-24-25(15-19)35-18-34-24)16-26(31)29-11-13-30(14-12-29)27(32)33-4-2/h5-10,15,17,21H,3-4,11-14,16,18H2,1-2H3