methyl 2-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=C(C=CO3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=C(C=CO3)C(=O)OC

InChI

InChI=1S/C21H27N3O4/c1-3-16-6-4-5-7-18(16)22-20(25)15-24-11-9-23(10-12-24)14-19-17(8-13-28-19)21(26)27-2/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,22,25)