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

Systemtic Name: 3-phenylpropyl 5-[[4-(3-methylbutoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-isopentyloxyanilino)-5-oxo-pentanoate CAS Name: 5-[4-(3-methylbutoxy)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(3-methylbutoxy)anilino]-5-oxopentanoate Traditional Name: 5-(4-isoamoxyanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H33NO4/c1-20(2)17-19-29-23-15-13-22(14-16-23)26-24(27)11-6-12-25(28)30-18-7-10-21-8-4-3-5-9-21/h3-5,8-9,13-16,20H,6-7,10-12,17-19H2,1-2H3,(H,26,27)