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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(2-oxidanylidene-1H-pyridin-4-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(2-oxo-1H-pyridin-4-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[oxo-[4-(2-oxo-1H-pyridin-4-yl)phenyl]methyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(2-oxo-1H-pyridin-4-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(2-keto-1H-pyridin-4-yl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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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(=O)NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4/c1-35-27(34)22(15-17-4-2-5-21(14-17)25(28)29)23-6-3-13-31(23)26(33)19-9-7-18(8-10-19)20-11-12-30-24(32)16-20/h2,4-5,7-12,14,16,22-23H,3,6,13,15H2,1H3,(H3,28,29)(H,30,32)