methyl 2-[4-[3-[(4-cyanophenyl)amino]prop-1-ynyl]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[3-[(4-cyanophenyl)amino]prop-1-ynyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[3-(4-cyanoanilino)prop-1-ynyl]benzoyl]benzoate CAS Name: 2-[[4-[3-(4-cyanoanilino)prop-1-ynyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-cyanoanilino)prop-1-ynyl]benzoyl]benzoate Traditional Name: 2-[4-[3-(4-cyanoanilino)prop-1-ynyl]benzoyl]benzoic acid methyl ester Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H18N2O3/c1-30-25(29)23-7-3-2-6-22(23)24(28)20-12-8-18(9-13-20)5-4-16-27-21-14-10-19(17-26)11-15-21/h2-3,6-15,27H,16H2,1H3