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

Systemtic Name: 3-phenylpropyl 5-[(4-butoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-butoxyanilino)-5-oxo-pentanoate CAS Name: 5-(4-butoxyanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(4-butoxyanilino)-5-oxopentanoate Traditional Name: 5-(4-butoxyanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H31NO4/c1-2-3-18-28-22-16-14-21(15-17-22)25-23(26)12-7-13-24(27)29-19-8-11-20-9-5-4-6-10-20/h4-6,9-10,14-17H,2-3,7-8,11-13,18-19H2,1H3,(H,25,26)