methyl 3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methyl-propanoate

Systemtic Name: methyl 3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methyl-propanoate Openeye Name: methyl 3-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-2-methyl-propanoate CAS Name: 3-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methylpropanoate Traditional Name: 3-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]-2-methyl-propionic acid methyl ester Formula: C32H39N7O2 MolecularWeight: 553.69776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39N7O2/c1-20(32(40)41-4)18-39(27-11-13-37(14-12-27)21(2)33)28-9-10-29-30(17-28)38(22(3)36-29)19-23-5-6-24-7-8-25(31(34)35)16-26(24)15-23/h5-10,15-17,20,27,33H,11-14,18-19H2,1-4H3,(H3,34,35)