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

Systemtic Name: methyl 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-2-phenyl-acetate CAS Name: 2-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-phenylacetate Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]amino]-2-phenyl-acetic acid methyl ester Formula: C35H37N7O2 MolecularWeight: 587.71398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)N(C2=CC3=C(C=C2)N=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N)C(C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CC(=N)N1CCC(CC1)N(C2=CC3=C(C=C2)N=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N)C(C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C35H37N7O2/c1-23(36)40-18-16-26(17-19-40)42(33(35(43)44-2)24-8-4-3-5-9-24)27-13-15-31-32(20-27)41(22-39-31)21-25-12-14-30(34(37)38)29-11-7-6-10-28(25)29/h3-15,20,22,26,33,36H,16-19,21H2,1-2H3,(H3,37,38)