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

Systemtic Name: methyl 2-[[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[2-keto-2-(p-toluidino)ethyl]piperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=C(C=CO3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=C(C=CO3)C(=O)OC

InChI

InChI=1S/C20H25N3O4/c1-15-3-5-16(6-4-15)21-19(24)14-23-10-8-22(9-11-23)13-18-17(7-12-27-18)20(25)26-2/h3-7,12H,8-11,13-14H2,1-2H3,(H,21,24)