3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(2-cyclohexylethoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2-cyclohexylethoxy)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(2-cyclohexylethoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2-cyclohexylethoxy)anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H37NO4/c30-27(14-7-15-28(31)33-21-8-13-23-9-3-1-4-10-23)29-25-16-18-26(19-17-25)32-22-20-24-11-5-2-6-12-24/h1,3-4,9-10,16-19,24H,2,5-8,11-15,20-22H2,(H,29,30)