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

Systemtic Name: 2-[2-[[5-carbamimidoyl-3-(phenylmethyl)indol-1-yl]methyl]phenyl]-5-methoxy-terephthalic acid Openeye Name: 2-[2-[(3-benzyl-5-carbamimidoyl-indol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid CAS Name: 2-[2-[[5-carbamimidoyl-3-(phenylmethyl)-1-indolyl]methyl]phenyl]-5-methoxyterephthalic acid IUPAC Name: 2-[2-[(3-benzyl-5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxyterephthalic acid Traditional Name: 2-[2-[(5-amidino-3-benzyl-indol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid Formula: C32H27N3O5 MolecularWeight: 533.57388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27N3O5/c1-40-29-16-26(31(36)37)25(15-27(29)32(38)39)23-10-6-5-9-21(23)17-35-18-22(13-19-7-3-2-4-8-19)24-14-20(30(33)34)11-12-28(24)35/h2-12,14-16,18H,13,17H2,1H3,(H3,33,34)(H,36,37)(H,38,39)