ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzoyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-3-[[[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzoyl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-3-[[3-methyl-4-(3-pyrroline-1-carbonyl)benzoyl]amino]propionic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CC=CC3)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CC=CC3)C

InChI

InChI=1S/C25H28N4O4/c1-3-33-22(30)15-21(17-7-6-8-18(14-17)23(26)27)28-24(31)19-9-10-20(16(2)13-19)25(32)29-11-4-5-12-29/h4-10,13-14,21H,3,11-12,15H2,1-2H3,(H3,26,27)(H,28,31)