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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-propyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-propyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-propyl-3-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-propylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-propyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H27N3O3/c1-3-12-30-16-19(22-10-8-18(26(28)29)14-25(22)30)13-17-6-4-5-7-21(17)23-11-9-20(33-2)15-24(23)27(31)32/h4-11,14-16H,3,12-13H2,1-2H3,(H3,28,29)(H,31,32)