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

Systemtic Name: 5-aminocarbonyl-2-[3-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[3-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-5-carbamoyl-benzoic acid Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c1-2-30-14-19(21-9-6-17(24(27)28)13-23(21)30)11-15-4-3-5-16(10-15)20-8-7-18(25(29)31)12-22(20)26(32)33/h3-10,12-14H,2,11H2,1H3,(H3,27,28)(H2,29,31)(H,32,33)