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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-(4-pyridin-2-ylphenyl)carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(2-pyridyl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[oxo-[4-(2-pyridinyl)phenyl]methyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-(4-pyridin-2-ylbenzoyl)pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(2-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=CC=CC=N4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CC=CC=N4

InChI

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