2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-carboxy-phenyl]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-carboxy-phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-carboxy-phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-carboxyphenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-carboxyphenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-carboxy-phenyl]-5-methyl-benzoic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)O)C4=C(C=C(C=C4)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)O)C4=C(C=C(C=C4)C)C(=O)O

InChI

InChI=1S/C27H25N3O4/c1-3-30-14-19(20-9-7-17(25(28)29)13-24(20)30)11-16-5-6-18(26(31)32)12-22(16)21-8-4-15(2)10-23(21)27(33)34/h4-10,12-14H,3,11H2,1-2H3,(H3,28,29)(H,31,32)(H,33,34)