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

Systemtic Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-3-4-16-30-22-13-12-21(18-23(22)29-2)19-26-24(27)14-15-25(28)31-17-8-11-20-9-6-5-7-10-20/h5-7,9-10,12-13,18H,3-4,8,11,14-17,19H2,1-2H3,(H,26,27)