methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1H-imidazol-5-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1H-imidazol-5-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1H-imidazol-5-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[[4-(1H-imidazol-5-yl)phenyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1H-imidazol-5-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(1H-imidazol-5-yl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CN=CN4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CN=CN4

InChI

InChI=1S/C25H27N5O3/c1-33-25(32)20(13-16-4-2-5-19(12-16)23(26)27)22-6-3-11-30(22)24(31)18-9-7-17(8-10-18)21-14-28-15-29-21/h2,4-5,7-10,12,14-15,20,22H,3,6,11,13H2,1H3,(H3,26,27)(H,28,29)