ethyl 4-[4-[[3-(3-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]amino]-4-methyl-pentyl]benzoate

Systemtic Name: ethyl 4-[4-[[3-(3-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl]amino]-4-methyl-pentyl]benzoate Openeye Name: ethyl 4-[4-[[3-(3-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]amino]-4-methyl-pentyl]benzoate CAS Name: 4-[4-[[3-(3-chloro-2-cyanophenoxy)-2-hydroxypropyl]amino]-4-methylpentyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(3-chloro-2-cyanophenoxy)-2-hydroxypropyl]amino]-4-methylpentyl]benzoate Traditional Name: 4-[4-[[3-(3-chloro-2-cyano-phenoxy)-2-hydroxy-propyl]amino]-4-methyl-pentyl]benzoic acid ethyl ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCC(C)(C)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCC(C)(C)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

InChI

InChI=1S/C25H31ClN2O4/c1-4-31-24(30)19-12-10-18(11-13-19)7-6-14-25(2,3)28-16-20(29)17-32-23-9-5-8-22(26)21(23)15-27/h5,8-13,20,28-29H,4,6-7,14,16-17H2,1-3H3