3-(4-carbamimidoylphenyl)-2-methyl-1-(2-phenylpropanoyl)-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-methyl-1-(2-phenylpropanoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-methyl-1-(2-phenylpropanoyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-methyl-1-(1-oxo-2-phenylpropyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-methyl-1-(2-phenylpropanoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-1-hydratropoyl-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)C2C3=CC=CC=C3CC(N2C)(C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)C2C3=CC=CC=C3CC(N2C)(C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H27N3O3/c1-17(18-8-4-3-5-9-18)24(31)23-22-11-7-6-10-20(22)16-27(26(32)33,30(23)2)21-14-12-19(13-15-21)25(28)29/h3-15,17,23H,16H2,1-2H3,(H3,28,29)(H,32,33)