methyl 2-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[2-(3-chloro-4-prop-2-enoxyphenyl)-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CC2=CC(=C(C=C2)OCC=C)Cl

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)CC2=CC(=C(C=C2)OCC=C)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-3-6-26-16-5-4-12(7-14(16)19)8-17(23)22-15(18(24)25-2)9-13-10-20-11-21-13/h3-5,7,10-11,15H,1,6,8-9H2,2H3,(H,20,21)(H,22,23)