2-[3-(5-carbamimidoyl-6-chloranyl-1H-indol-2-yl)-5-(2-hydroxyphenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-6-chloranyl-1H-indol-2-yl)-5-(2-hydroxyphenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-6-chloro-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]succinic acid Formula: C25H20ClN3O6 MolecularWeight: 493.8958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3=CC4=CC(=C(C=C4N3)Cl)C(=N)N)C(CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3=CC4=CC(=C(C=C4N3)Cl)C(=N)N)C(CC(=O)O)C(=O)O)O

InChI

InChI=1S/C25H20ClN3O6/c26-18-10-19-12(7-16(18)24(27)28)8-20(29-19)17-6-11(14(25(34)35)9-22(31)32)5-15(23(17)33)13-3-1-2-4-21(13)30/h1-8,10,14,29-30,33H,9H2,(H3,27,28)(H,31,32)(H,34,35)