methyl 2-[2-(3-chloranyl-4-prop-2-ynoxy-phenyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-(3-chloranyl-4-prop-2-ynoxy-phenyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(3-chloro-4-prop-2-ynoxy-phenyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(3-chloro-4-prop-2-ynoxyphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-chloro-4-prop-2-ynoxyphenyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(3-chloro-4-propargyloxy-phenyl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CC(=C(C=C2)OCC#C)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2=CC(=C(C=C2)OCC#C)Cl

InChI

InChI=1S/C21H20ClNO4/c1-3-11-27-19-10-9-16(12-17(19)22)14-20(24)23-18(21(25)26-2)13-15-7-5-4-6-8-15/h1,4-10,12,18H,11,13-14H2,2H3,(H,23,24)