ethyl 5-azanyl-3-[2-[4-(phenylmethyl)phenoxy]ethyl]pent-4-ynoate

Systemtic Name: ethyl 5-azanyl-3-[2-[4-(phenylmethyl)phenoxy]ethyl]pent-4-ynoate Openeye Name: ethyl 5-amino-3-[2-(4-benzylphenoxy)ethyl]pent-4-ynoate CAS Name: 5-amino-3-[2-[4-(phenylmethyl)phenoxy]ethyl]-4-pentynoic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[2-(4-benzylphenoxy)ethyl]pent-4-ynoate Traditional Name: 5-amino-3-[2-(4-benzylphenoxy)ethyl]pent-4-ynoic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCOC1=CC=C(C=C1)CC2=CC=CC=C2)C#CN

Isomeric SMILES

CCOC(=O)CC(CCOC1=CC=C(C=C1)CC2=CC=CC=C2)C#CN

InChI

InChI=1S/C22H25NO3/c1-2-25-22(24)17-20(12-14-23)13-15-26-21-10-8-19(9-11-21)16-18-6-4-3-5-7-18/h3-11,20H,2,13,15-17,23H2,1H3