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

Systemtic Name: (3-carbamimidoylphenyl)methyl 1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl)methyl 5-benzyloxy-1-[(3-cyanophenyl)methyl]indole-2-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid (3-carbamimidoylphenyl)methyl ester IUPAC Name: (3-carbamimidoylphenyl)methyl 1-[(3-cyanophenyl)methyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-(3-cyanobenzyl)indole-2-carboxylic acid (3-amidinobenzyl) ester Formula: C32H26N4O3 MolecularWeight: 514.57384

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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

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

InChI

InChI=1S/C32H26N4O3/c33-18-23-8-4-9-24(14-23)19-36-29-13-12-28(38-20-22-6-2-1-3-7-22)16-27(29)17-30(36)32(37)39-21-25-10-5-11-26(15-25)31(34)35/h1-17H,19-21H2,(H3,34,35)