4-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-3-[2-(hydroxymethyl)-4-methoxy-phenyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-3-[2-(hydroxymethyl)-4-methoxy-phenyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-3-[2-(hydroxymethyl)-4-methoxy-phenyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-3-[2-(hydroxymethyl)-4-methoxyphenyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-3-[2-(hydroxymethyl)-4-methoxyphenyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[(6-amidino-1-ethyl-indol-3-yl)methyl]-3-(4-methoxy-2-methylol-phenyl)-N-(2-pyridylmethyl)benzamide Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)C5=C(C=C(C=C5)OC)CO

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)C5=C(C=C(C=C5)OC)CO

InChI

InChI=1S/C33H33N5O3/c1-3-38-19-24(29-11-9-22(32(34)35)17-31(29)38)14-21-7-8-23(33(40)37-18-26-6-4-5-13-36-26)16-30(21)28-12-10-27(41-2)15-25(28)20-39/h4-13,15-17,19,39H,3,14,18,20H2,1-2H3,(H3,34,35)(H,37,40)