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

Systemtic Name: methyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]benzoate CAS Name: 2-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]benzoate Traditional Name: 2-[4-[3-(4-amidinoanilino)prop-1-ynyl]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)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3/c1-31-25(30)22-7-3-2-6-21(22)23(29)18-10-8-17(9-11-18)5-4-16-28-20-14-12-19(13-15-20)24(26)27/h2-3,6-15,28H,16H2,1H3,(H3,26,27)