methyl 4-aminocarbonyl-3-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-1-yl-benzoate

Systemtic Name: methyl 4-aminocarbonyl-3-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-1-yl-benzoate Openeye Name: methyl 4-carbamoyl-3-indan-5-yl-2-piperazin-1-yl-benzoate CAS Name: 4-carbamoyl-3-(2,3-dihydro-1H-inden-5-yl)-2-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 4-carbamoyl-3-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-1-ylbenzoate Traditional Name: 4-carbamoyl-3-indan-5-yl-2-piperazino-benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(CCC3)C=C2)N4CCNCC4

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(CCC3)C=C2)N4CCNCC4

InChI

InChI=1S/C22H25N3O3/c1-28-22(27)18-8-7-17(21(23)26)19(20(18)25-11-9-24-10-12-25)16-6-5-14-3-2-4-15(14)13-16/h5-8,13,24H,2-4,9-12H2,1H3,(H2,23,26)