methyl 2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]ethanoate

Systemtic Name: methyl 2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]ethanoate Openeye Name: methyl 2-[[1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]acetate CAS Name: 2-[[1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]acetate Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)-[1-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]acetic acid methyl ester Formula: C30H35N7O2 MolecularWeight: 525.6446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2)N(CC(=O)OC)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2)N(CC(=O)OC)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C30H35N7O2/c1-19(31)35-12-10-25(11-13-35)37(18-29(38)39-3)26-8-9-28-27(16-26)34-20(2)36(28)17-21-4-5-22-6-7-23(30(32)33)15-24(22)14-21/h4-9,14-16,25,31H,10-13,17-18H2,1-3H3,(H3,32,33)