4-[4-(phenylmethyl)phenoxy]butyl 2-[(prop-2-enylamino)methyl]butanoate

Systemtic Name: 4-[4-(phenylmethyl)phenoxy]butyl 2-[(prop-2-enylamino)methyl]butanoate Openeye Name: 4-(4-benzylphenoxy)butyl 2-[(allylamino)methyl]butanoate CAS Name: 2-[(prop-2-enylamino)methyl]butanoic acid 4-[4-(phenylmethyl)phenoxy]butyl ester IUPAC Name: 4-(4-benzylphenoxy)butyl 2-[(prop-2-enylamino)methyl]butanoate Traditional Name: 2-[(allylamino)methyl]butyric acid 4-(4-benzylphenoxy)butyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCC=C)C(=O)OCCCCOC1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CNCC=C)C(=O)OCCCCOC1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C25H33NO3/c1-3-16-26-20-23(4-2)25(27)29-18-9-8-17-28-24-14-12-22(13-15-24)19-21-10-6-5-7-11-21/h3,5-7,10-15,23,26H,1,4,8-9,16-20H2,2H3