ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-oxo-propanoate CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methyl-1-piperazinyl)propyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-oxopropanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(4-methylpiperazino)propyl]amino]-3-keto-propionic acid ethyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CCCN1CCN(CC1)C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)CC(=O)N(CCCN1CCN(CC1)C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H33N3O5/c1-3-28-22(27)16-21(26)25(8-4-7-24-11-9-23(2)10-12-24)17-18-5-6-19-20(15-18)30-14-13-29-19/h5-6,15H,3-4,7-14,16-17H2,1-2H3