(4-carbamimidoylphenyl) 4-[(2-methylindol-1-yl)methyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(2-methylindol-1-yl)methyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(2-methylindol-1-yl)methyl]benzoate CAS Name: 4-[(2-methyl-1-indolyl)methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(2-methylindol-1-yl)methyl]benzoate Traditional Name: 4-[(2-methylindol-1-yl)methyl]benzoic acid (4-amidinophenyl) ester Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H21N3O2/c1-16-14-20-4-2-3-5-22(20)27(16)15-17-6-8-19(9-7-17)24(28)29-21-12-10-18(11-13-21)23(25)26/h2-14H,15H2,1H3,(H3,25,26)