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

Systemtic Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-2-indolecarboxylic acid (3-carbamimidoylphenyl)methyl ester IUPAC Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate Traditional Name: 1-(3-amidinobenzyl)indole-2-carboxylic acid (3-amidinobenzyl) ester Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H23N5O2/c26-23(27)19-8-3-5-16(11-19)14-30-21-10-2-1-7-18(21)13-22(30)25(31)32-15-17-6-4-9-20(12-17)24(28)29/h1-13H,14-15H2,(H3,26,27)(H3,28,29)