2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(phenylmethyl)ethanamide ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(phenylmethyl)ethanamide ethanoate Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[3-methoxy-4-(2-morpholinoethoxy)phenyl]acetamide acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)acetamide acetate IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]acetamide acetate Traditional Name: 2-(4-amidinoanilino)-N-benzyl-2-[3-methoxy-4-(2-morpholinoethoxy)phenyl]acetamide acetate Formula: C31H38N5O6- MolecularWeight: 576.66332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCCN4CCOCC4

Isomeric SMILES

CC(=O)[O-].COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCCN4CCOCC4

InChI

InChI=1S/C29H35N5O4.C2H4O2/c1-36-26-19-23(9-12-25(26)38-18-15-34-13-16-37-17-14-34)27(29(35)32-20-21-5-3-2-4-6-21)33-24-10-7-22(8-11-24)28(30)31;1-2(3)4/h2-12,19,27,33H,13-18,20H2,1H3,(H3,30,31)(H,32,35);1H3,(H,3,4)/p-1