ethyl 4-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indol-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indol-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-chlorophenyl)methyl]-4-ethoxy-indole-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-4-ethoxy-2-indolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-chlorophenyl)methyl]-4-ethoxyindole-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorobenzyl)-4-ethoxy-indole-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1C=C(N2CC3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC2=C1C=C(N2CC3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H28ClN3O4/c1-3-32-23-10-6-9-21-20(23)16-22(29(21)17-18-7-5-8-19(26)15-18)24(30)27-11-13-28(14-12-27)25(31)33-4-2/h5-10,15-16H,3-4,11-14,17H2,1-2H3