ethyl 3-(3-carbamimidoylphenyl)-3-[(3-ethynyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoate

Systemtic Name: ethyl 3-(3-carbamimidoylphenyl)-3-[(3-ethynyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoate Openeye Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-3-[[[3-ethynyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-3-[[3-ethynyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propionic acid ethyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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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)N3CCCC3)C#C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)C#C

InChI

InChI=1S/C26H28N4O4/c1-3-17-14-20(10-11-21(17)26(33)30-12-5-6-13-30)25(32)29-22(16-23(31)34-4-2)18-8-7-9-19(15-18)24(27)28/h1,7-11,14-15,22H,4-6,12-13,16H2,2H3,(H3,27,28)(H,29,32)