methyl 3-[2-[3-(3-phenoxypropanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(3-phenoxypropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(3-phenoxypropanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(1-oxo-3-phenoxypropyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(3-phenoxypropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(3-phenoxypropanoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H21NO4/c1-29-25(28)21-9-5-7-19(17-21)13-14-20-8-6-10-22(18-20)26-24(27)15-16-30-23-11-3-2-4-12-23/h2-12,17-18H,15-16H2,1H3,(H,26,27)