N-[(4-aminophenyl)methyl]-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide

Systemtic Name: N-[(4-aminophenyl)methyl]-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: N-[(4-aminophenyl)methyl]-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetamide CAS Name: N-[(4-aminophenyl)methyl]-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: N-[(4-aminophenyl)methyl]-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-N-(4-aminobenzyl)-2-(4-benzoxy-3-methoxy-phenyl)acetamide Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N5O3/c1-37-27-17-23(11-16-26(27)38-19-21-5-3-2-4-6-21)28(35-25-14-9-22(10-15-25)29(32)33)30(36)34-18-20-7-12-24(31)13-8-20/h2-17,28,35H,18-19,31H2,1H3,(H3,32,33)(H,34,36)