methyl 4-[[3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(3-methoxy-4-prop-2-ynoxyphenyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methoxy-4-prop-2-ynoxyphenyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(3-methoxy-4-propargyloxy-phenyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OCC#C

InChI

InChI=1S/C22H23NO5/c1-4-13-28-19-11-7-16(14-20(19)26-2)8-12-21(24)23-15-17-5-9-18(10-6-17)22(25)27-3/h1,5-7,9-11,14H,8,12-13,15H2,2-3H3,(H,23,24)