methyl 5-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 3-methyl-5-[(4-veratroylpiperazino)methyl]furan-2-carboxylic acid methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C21H26N2O6/c1-14-11-16(29-19(14)21(25)28-4)13-22-7-9-23(10-8-22)20(24)15-5-6-17(26-2)18(12-15)27-3/h5-6,11-12H,7-10,13H2,1-4H3