diethyl 2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indene-1,1-dicarboxylate

Systemtic Name: diethyl 2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indene-1,1-dicarboxylate Openeye Name: diethyl 2-[(4-benzylpiperazin-1-yl)methyl]indene-1,1-dicarboxylate CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]indene-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-benzylpiperazin-1-yl)methyl]indene-1,1-dicarboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]indene-1,1-dicarboxylic acid diethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C=C1CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C=C1CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H32N2O4/c1-3-32-25(30)27(26(31)33-4-2)23(18-22-12-8-9-13-24(22)27)20-29-16-14-28(15-17-29)19-21-10-6-5-7-11-21/h5-13,18H,3-4,14-17,19-20H2,1-2H3