3-[4-(phenylmethyl)phenoxy]butyl 2-(aminomethyl)butanoate

Systemtic Name: 3-[4-(phenylmethyl)phenoxy]butyl 2-(aminomethyl)butanoate Openeye Name: 3-(4-benzylphenoxy)butyl 2-(aminomethyl)butanoate CAS Name: 2-(aminomethyl)butanoic acid 3-[4-(phenylmethyl)phenoxy]butyl ester IUPAC Name: 3-(4-benzylphenoxy)butyl 2-(aminomethyl)butanoate Traditional Name: 2-(aminomethyl)butyric acid 3-(4-benzylphenoxy)butyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN)C(=O)OCCC(C)OC1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CN)C(=O)OCCC(C)OC1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C22H29NO3/c1-3-20(16-23)22(24)25-14-13-17(2)26-21-11-9-19(10-12-21)15-18-7-5-4-6-8-18/h4-12,17,20H,3,13-16,23H2,1-2H3