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

Systemtic Name: methyl 3-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methyl-benzimidazol-5-yl]-piperidin-4-yl-amino]propanoate Openeye Name: methyl 3-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(4-piperidyl)amino]propanoate CAS Name: 3-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-(4-piperidinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methylbenzimidazol-5-yl]-piperidin-4-ylamino]propanoate Traditional Name: 3-[[3-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(4-piperidyl)amino]propionic acid methyl ester Formula: C29H34N6O2 MolecularWeight: 498.61926

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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(CCC(=O)OC)C5CCNCC5

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CCC(=O)OC)C5CCNCC5

InChI

InChI=1S/C29H34N6O2/c1-19-33-26-10-8-22(34(16-13-28(36)37-2)21-11-14-32-15-12-21)17-27(26)35(19)18-20-7-9-25(29(30)31)24-6-4-3-5-23(20)24/h3-10,17,21,32H,11-16,18H2,1-2H3,(H3,30,31)