(3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl)methyl 5-benzyloxy-1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid (3-carbamimidoylphenyl)methyl ester IUPAC Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 1-(3-amidinobenzyl)-5-benzoxy-indole-2-carboxylic acid (3-amidinobenzyl) ester Formula: C32H29N5O3 MolecularWeight: 531.60436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)OCC4=CC=CC(=C4)C(=N)N)CC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)OCC4=CC=CC(=C4)C(=N)N)CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C32H29N5O3/c33-30(34)24-10-4-8-22(14-24)18-37-28-13-12-27(39-19-21-6-2-1-3-7-21)16-26(28)17-29(37)32(38)40-20-23-9-5-11-25(15-23)31(35)36/h1-17H,18-20H2,(H3,33,34)(H3,35,36)