tert-butyl N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(4-ethoxybenzyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

InChI

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