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

Systemtic Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-indole-2-carboxylate Openeye Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-indole-2-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-methyl-indole-2-carboxylic acid ethyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC=C2N1CC3=CC=CC(=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC=C2N1CC3=CC=CC(=C3)C(=N)N)C

InChI

InChI=1S/C20H21N3O2/c1-3-25-20(24)18-11-16-13(2)6-4-9-17(16)23(18)12-14-7-5-8-15(10-14)19(21)22/h4-11H,3,12H2,1-2H3,(H3,21,22)