ethyl 2-methyl-4-[(4-methylpiperazin-1-yl)-phenyl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(4-methylpiperazin-1-yl)-phenyl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-phenyl-methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperazinyl)-phenylmethyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazino)-phenyl-methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=C4)N5CCN(CC5)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=C4)N5CCN(CC5)C)C

InChI

InChI=1S/C28H30N2O4/c1-4-33-28(32)22-18(2)34-27-21-13-9-8-12-20(21)26(31)24(23(22)27)25(19-10-6-5-7-11-19)30-16-14-29(3)15-17-30/h5-13,25,31H,4,14-17H2,1-3H3