4-[4-(3-oxidanylidenepropyl)phenoxy]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-[4-(3-oxidanylidenepropyl)phenoxy]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-[4-(3-oxopropyl)phenoxy]butanoate CAS Name: 4-[4-(3-oxopropyl)phenoxy]-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-[4-(3-oxopropyl)phenoxy]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[4-(3-ketopropyl)phenoxy]butyrate Formula: C21H22NO6- MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCOC2=CC=C(C=C2)CCC=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCOC2=CC=C(C=C2)CCC=O)C(=O)[O-]

InChI

InChI=1S/C21H23NO6/c23-13-4-7-16-8-10-18(11-9-16)27-14-12-19(20(24)25)22-21(26)28-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H,22,26)(H,24,25)/p-1