ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-(4-methylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-(4-methylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(p-tolyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)-(4-methylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)-(4-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(p-tolyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O6/c1-5-37-30(35)24-20(4)39-29-23-10-8-7-9-22(23)28(34)26(25(24)29)27(21-13-11-19(3)12-14-21)32-15-17-33(18-16-32)31(36)38-6-2/h7-14,27,34H,5-6,15-18H2,1-4H3