3-(4-carbamimidoylphenyl)-1-(2-pyridin-3-ylpropanoyl)-2,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-1-(2-pyridin-3-ylpropanoyl)-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 3-(4-carbamimidoylphenyl)-1-[2-(3-pyridyl)propanoyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 3-(4-carbamimidoylphenyl)-1-[1-oxo-2-(3-pyridinyl)propyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-1-(2-pyridin-3-ylpropanoyl)-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-1-[2-(3-pyridyl)propanoyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)C(=O)C2C3=CC=CC=C3CC(N2)(C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)C(=O)C2C3=CC=CC=C3CC(N2)(C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H24N4O3/c1-15(18-6-4-12-28-14-18)22(30)21-20-7-3-2-5-17(20)13-25(29-21,24(31)32)19-10-8-16(9-11-19)23(26)27/h2-12,14-15,21,29H,13H2,1H3,(H3,26,27)(H,31,32)