acetyloxymethyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-1-(4-phenylbutyl)benzimidazol-2-yl]benzoate

Systemtic Name: acetyloxymethyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-1-(4-phenylbutyl)benzimidazol-2-yl]benzoate Openeye Name: acetoxymethyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxo-propyl)carbamoyl]-1-(4-phenylbutyl)benzimidazol-2-yl]benzoate CAS Name: 3-carbamimidoyl-4-[5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-(4-phenylbutyl)-2-benzimidazolyl]benzoic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxopropyl)carbamoyl]-1-(4-phenylbutyl)benzimidazol-2-yl]benzoate Traditional Name: 3-amidino-4-[5-[(3-keto-3-methoxy-propyl)carbamoyl]-1-(4-phenylbutyl)benzimidazol-2-yl]benzoic acid acetoxymethyl ester Formula: C33H35N5O7 MolecularWeight: 613.6603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=CC(=C(C=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

Isomeric SMILES

CC(=O)OCOC(=O)C1=CC(=C(C=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

InChI

InChI=1S/C33H35N5O7/c1-21(39)44-20-45-33(42)24-11-13-25(26(18-24)30(34)35)31-37-27-19-23(32(41)36-16-15-29(40)43-2)12-14-28(27)38(31)17-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,11-14,18-19H,6-7,10,15-17,20H2,1-2H3,(H3,34,35)(H,36,41)