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

Systemtic Name: 3-(4-carbamimidoylphenyl)-1-(2-naphthalen-2-ylpropanoyl)-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 3-(4-carbamimidoylphenyl)-1-[2-(2-naphthyl)propanoyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 3-(4-carbamimidoylphenyl)-1-[2-(2-naphthalenyl)-1-oxopropyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-1-(2-naphthalen-2-ylpropanoyl)-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-1-[2-(2-naphthyl)propanoyl]-2,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)C(=O)C3C4=CC=CC=C4CC(N3)(C5=CC=C(C=C5)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)C(=O)C3C4=CC=CC=C4CC(N3)(C5=CC=C(C=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C30H27N3O3/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)27(34)26-25-9-5-4-8-23(25)17-30(33-26,29(35)36)24-14-12-20(13-15-24)28(31)32/h2-16,18,26,33H,17H2,1H3,(H3,31,32)(H,35,36)