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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-phenylmethoxyphenyl)amino]pentanoate Openeye Name: 3-phenylpropyl 5-(4-benzyloxyanilino)-5-oxo-pentanoate CAS Name: 5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(4-phenylmethoxyanilino)pentanoate Traditional Name: 5-(4-benzoxyanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO4/c29-26(14-7-15-27(30)31-20-8-13-22-9-3-1-4-10-22)28-24-16-18-25(19-17-24)32-21-23-11-5-2-6-12-23/h1-6,9-12,16-19H,7-8,13-15,20-21H2,(H,28,29)