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

Systemtic Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-indole-2-carboxylate Openeye Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-indole-2-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-2-indolecarboxylic acid (3-carbamimidoylphenyl)methyl ester IUPAC Name: (3-carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-methyl-indole-2-carboxylic acid (3-amidinobenzyl) ester Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H25N5O2/c1-16-5-2-10-22-21(16)13-23(31(22)14-17-6-3-8-19(11-17)24(27)28)26(32)33-15-18-7-4-9-20(12-18)25(29)30/h2-13H,14-15H2,1H3,(H3,27,28)(H3,29,30)