phenethyl 6-[[2-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-oxidanyl-ethyl]amino]hexanoate

Systemtic Name: phenethyl 6-[[2-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-oxidanyl-ethyl]amino]hexanoate Openeye Name: phenethyl 6-[[2-(4-amino-3-chloro-5-cyano-phenyl)-2-hydroxy-ethyl]amino]hexanoate CAS Name: 6-[[2-(4-amino-3-chloro-5-cyanophenyl)-2-hydroxyethyl]amino]hexanoic acid phenethyl ester IUPAC Name: phenethyl 6-[[2-(4-amino-3-chloro-5-cyanophenyl)-2-hydroxyethyl]amino]hexanoate Traditional Name: 6-[[2-(4-amino-3-chloro-5-cyano-phenyl)-2-hydroxy-ethyl]amino]hexanoic acid phenethyl ester Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCCCCNCC(C2=CC(=C(C(=C2)C#N)N)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCCCCNCC(C2=CC(=C(C(=C2)C#N)N)Cl)O

InChI

InChI=1S/C23H28ClN3O3/c24-20-14-18(13-19(15-25)23(20)26)21(28)16-27-11-6-2-5-9-22(29)30-12-10-17-7-3-1-4-8-17/h1,3-4,7-8,13-14,21,27-28H,2,5-6,9-12,16,26H2