2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-chlorophenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-chlorophenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-chlorophenyl)-4-hydroxy-phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-chlorophenyl)-4-hydroxyphenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-chlorophenyl)-4-hydroxyphenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-5-(3-chlorophenyl)-4-hydroxy-phenyl]succinic acid Formula: C25H20ClN3O5 MolecularWeight: 477.8964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H20ClN3O5/c26-16-3-1-2-12(7-16)17-8-14(18(25(33)34)11-22(30)31)9-19(23(17)32)21-10-15-6-13(24(27)28)4-5-20(15)29-21/h1-10,18,29,32H,11H2,(H3,27,28)(H,30,31)(H,33,34)