ethyl 4-[[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[[4-(2-furylmethyl)piperazin-1-yl]methyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[4-(2-furanylmethyl)-1-piperazinyl]methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[[4-(2-furfuryl)piperazino]methyl]anilino]-4-keto-butyric acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C22H29N3O4/c1-2-28-22(27)10-9-21(26)23-19-7-5-18(6-8-19)16-24-11-13-25(14-12-24)17-20-4-3-15-29-20/h3-8,15H,2,9-14,16-17H2,1H3,(H,23,26)