2-[4-carbamimidoyl-2-[[5-carbamimidoyl-3-(phenylmethyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[4-carbamimidoyl-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]-4-carbamimidoyl-phenyl]-5-methoxy-benzoic acid CAS Name: 2-[4-carbamimidoyl-2-[[5-carbamimidoyl-3-(phenylmethyl)-1-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(3-benzyl-5-carbamimidoylindol-1-yl)methyl]-4-carbamimidoylphenyl]-5-methoxybenzoic acid Traditional Name: 2-[4-amidino-2-[(5-amidino-3-benzyl-indol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C32H29N5O3 MolecularWeight: 531.60436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=N)N)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=N)N)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H29N5O3/c1-40-24-9-11-26(28(16-24)32(38)39)25-10-7-20(30(33)34)14-23(25)18-37-17-22(13-19-5-3-2-4-6-19)27-15-21(31(35)36)8-12-29(27)37/h2-12,14-17H,13,18H2,1H3,(H3,33,34)(H3,35,36)(H,38,39)