methyl 3-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 3-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(p-tolyl)propanoate CAS Name: 3-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]-3-(p-tolyl)propionic acid methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C21H21ClN2O5/c1-13-3-5-14(6-4-13)16(12-20(26)28-2)23-19(25)9-10-24-17-8-7-15(22)11-18(17)29-21(24)27/h3-8,11,16H,9-10,12H2,1-2H3,(H,23,25)