methyl 2-[4-[(2-carbamimidoylphenyl)-prop-2-ynyl-amino]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[(2-carbamimidoylphenyl)-prop-2-ynyl-amino]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(2-carbamimidoyl-N-prop-2-ynyl-anilino)benzoyl]benzoate CAS Name: 2-[[4-(2-carbamimidoyl-N-prop-2-ynylanilino)phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-carbamimidoyl-N-prop-2-ynylanilino)benzoyl]benzoate Traditional Name: 2-[4-(2-amidino-N-propargyl-anilino)benzoyl]benzoic acid methyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)N(CC#C)C3=CC=CC=C3C(=N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)N(CC#C)C3=CC=CC=C3C(=N)N

InChI

InChI=1S/C25H21N3O3/c1-3-16-28(22-11-7-6-10-21(22)24(26)27)18-14-12-17(13-15-18)23(29)19-8-4-5-9-20(19)25(30)31-2/h1,4-15H,16H2,2H3,(H3,26,27)