ethyl 4-[4-(3-methylphenyl)but-3-ynylamino]benzoate

Systemtic Name: ethyl 4-[4-(3-methylphenyl)but-3-ynylamino]benzoate Openeye Name: ethyl 4-[4-(m-tolyl)but-3-ynylamino]benzoate CAS Name: 4-[4-(3-methylphenyl)but-3-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylphenyl)but-3-ynylamino]benzoate Traditional Name: 4-[4-(m-tolyl)but-3-ynylamino]benzoic acid ethyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCC#CC2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCC#CC2=CC(=CC=C2)C

InChI

InChI=1S/C20H21NO2/c1-3-23-20(22)18-10-12-19(13-11-18)21-14-5-4-8-17-9-6-7-16(2)15-17/h6-7,9-13,15,21H,3,5,14H2,1-2H3