2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[3-methoxy-4-(4-pyridylmethoxy)phenyl]acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]acetamide Traditional Name: 2-(4-amidinoanilino)-N-benzyl-2-[3-methoxy-4-(4-pyridylmethoxy)phenyl]acetamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=NC=C4

InChI

InChI=1S/C29H29N5O3/c1-36-26-17-23(9-12-25(26)37-19-21-13-15-32-16-14-21)27(29(35)33-18-20-5-3-2-4-6-20)34-24-10-7-22(8-11-24)28(30)31/h2-17,27,34H,18-19H2,1H3,(H3,30,31)(H,33,35)