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

Systemtic Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]indole-2-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-2-indolecarboxylic acid (3-carbamimidoylphenyl) ester IUPAC Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]indole-2-carboxylate Traditional Name: 1-(3-cyanobenzyl)indole-2-carboxylic acid (3-amidinophenyl) ester Formula: C24H18N4O2 MolecularWeight: 394.42532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H18N4O2/c25-14-16-5-3-6-17(11-16)15-28-21-10-2-1-7-18(21)13-22(28)24(29)30-20-9-4-8-19(12-20)23(26)27/h1-13H,15H2,(H3,26,27)