methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(6-methoxypyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(6-methoxypyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(6-methoxy-3-pyridyl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(6-methoxypyridin-3-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(6-methoxy-3-pyridyl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(CC4=CC=CC(=C4)C(=N)N)C(=O)OC

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(CC4=CC=CC(=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C28H30N4O4/c1-35-25-13-12-22(17-31-25)19-8-10-20(11-9-19)27(33)32-14-4-7-24(32)23(28(34)36-2)16-18-5-3-6-21(15-18)26(29)30/h3,5-6,8-13,15,17,23-24H,4,7,14,16H2,1-2H3,(H3,29,30)