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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

InChI

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