(3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylate

Systemtic Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-4-methyl-2-indolecarboxylic acid (3-carbamimidoylphenyl) ester IUPAC Name: (3-carbamimidoylphenyl) 1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxylate Traditional Name: 1-(3-cyanobenzyl)-4-methyl-indole-2-carboxylic acid (3-amidinophenyl) ester Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H20N4O2/c1-16-5-2-10-22-21(16)13-23(29(22)15-18-7-3-6-17(11-18)14-26)25(30)31-20-9-4-8-19(12-20)24(27)28/h2-13H,15H2,1H3,(H3,27,28)