2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(3-keto-3-p-phenetyl-propyl)amino]propionic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-2-24-14-5-3-12(4-6-14)16(21)7-8-19-15(17(22)23)9-13-10-18-11-20-13/h3-6,10-11,15,19H,2,7-9H2,1H3,(H,18,20)(H,22,23)