3-phenylpropyl 5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxo-pentanoate CAS Name: 5-[(4-butoxy-3-methoxyphenyl)methylamino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-butoxy-3-methoxyphenyl)methylamino]-5-oxopentanoate Traditional Name: 5-[(4-butoxy-3-methoxy-benzyl)amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CCCC(=O)OCCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CCCC(=O)OCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C26H35NO5/c1-3-4-17-31-23-16-15-22(19-24(23)30-2)20-27-25(28)13-8-14-26(29)32-18-9-12-21-10-6-5-7-11-21/h5-7,10-11,15-16,19H,3-4,8-9,12-14,17-18,20H2,1-2H3,(H,27,28)