methyl 3-(3-carbamimidoylphenyl)-2-[1-(4-pyridin-3-ylphenyl)carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-(4-pyridin-3-ylphenyl)carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(3-pyridyl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[oxo-[4-(3-pyridinyl)phenyl]methyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(3-pyridyl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-34-27(33)23(16-18-5-2-6-21(15-18)25(28)29)24-8-4-14-31(24)26(32)20-11-9-19(10-12-20)22-7-3-13-30-17-22/h2-3,5-7,9-13,15,17,23-24H,4,8,14,16H2,1H3,(H3,28,29)