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

Systemtic Name: 2-[2-[[6-carbamimidoyl-1-(phenylmethyl)indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(1-benzyl-6-carbamimidoyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[6-carbamimidoyl-1-(phenylmethyl)-3-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(1-benzyl-6-carbamimidoylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-benzyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C31H27N3O3 MolecularWeight: 489.56438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27N3O3/c1-37-24-12-14-27(28(17-24)31(35)36)25-10-6-5-9-21(25)15-23-19-34(18-20-7-3-2-4-8-20)29-16-22(30(32)33)11-13-26(23)29/h2-14,16-17,19H,15,18H2,1H3,(H3,32,33)(H,35,36)