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

Systemtic Name: methyl 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]ethanoate Openeye Name: methyl 2-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]acetate CAS Name: 2-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]acetate Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]acetic acid methyl ester Formula: C30H35N7O2 MolecularWeight: 525.6446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CC(=O)OC)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CC(=O)OC)C5CCN(CC5)C(=N)C

InChI

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