tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(2-ethoxyphenyl)-1-piperazinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-keto-4-(4-o-phenetylpiperazino)butyl]carbamic acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-5-27-18-10-7-6-9-17(18)23-13-15-24(16-14-23)19(25)11-8-12-22-20(26)28-21(2,3)4/h6-7,9-10H,5,8,11-16H2,1-4H3,(H,22,26)