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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(3-phenylmethoxyphenyl)amino]pentanoate Openeye Name: 3-phenylpropyl 5-(3-benzyloxyanilino)-5-oxo-pentanoate CAS Name: 5-oxo-5-(3-phenylmethoxyanilino)pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(3-phenylmethoxyanilino)pentanoate Traditional Name: 5-(3-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(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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