methyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[(4-phenyl-1-piperazinyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[(4-phenylpiperazino)methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-14-12-16(23-17(14)18(21)22-2)13-19-8-10-20(11-9-19)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3