ethyl 4-[4-[cyclobuten-1-ylcarbonyl-(phenylmethyl)amino]but-1-ynyl]benzoate

Systemtic Name: ethyl 4-[4-[cyclobuten-1-ylcarbonyl-(phenylmethyl)amino]but-1-ynyl]benzoate Openeye Name: ethyl 4-[4-[benzyl(cyclobutene-1-carbonyl)amino]but-1-ynyl]benzoate CAS Name: 4-[4-[[1-cyclobutenyl(oxo)methyl]-(phenylmethyl)amino]but-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[benzyl(cyclobutene-1-carbonyl)amino]but-1-ynyl]benzoate Traditional Name: 4-[4-[benzyl(cyclobutene-1-carbonyl)amino]but-1-ynyl]benzoic acid ethyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CCCN(CC2=CC=CC=C2)C(=O)C3=CCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CCCN(CC2=CC=CC=C2)C(=O)C3=CCC3

InChI

InChI=1S/C25H25NO3/c1-2-29-25(28)23-16-14-20(15-17-23)9-6-7-18-26(24(27)22-12-8-13-22)19-21-10-4-3-5-11-21/h3-5,10-12,14-17H,2,7-8,13,18-19H2,1H3