1H-imidazol-5-ylmethyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxidanylideneethyl)carbamate

Systemtic Name: 1H-imidazol-5-ylmethyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxidanylideneethyl)carbamate Openeye Name: 1H-imidazol-5-ylmethyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxoethyl)carbamate CAS Name: N-(2-oxoethyl)-N-[4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinyl]carbamic acid 1H-imidazol-5-ylmethyl ester IUPAC Name: 1H-imidazol-5-ylmethyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxoethyl)carbamate Traditional Name: N-[4-[3-(4-caproylphenoxy)propyl]piperazino]-N-(2-ketoethyl)carbamic acid 1H-imidazol-5-ylmethyl ester Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)N(CC=O)C(=O)OCC3=CN=CN3

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)N(CC=O)C(=O)OCC3=CN=CN3

InChI

InChI=1S/C26H37N5O5/c1-2-3-4-6-25(33)22-7-9-24(10-8-22)35-18-5-11-29-12-14-30(15-13-29)31(16-17-32)26(34)36-20-23-19-27-21-28-23/h7-10,17,19,21H,2-6,11-16,18,20H2,1H3,(H,27,28)