tert-butyl 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-benzimidazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-benzimidazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-oxo-benzimidazol-1-yl]acetate CAS Name: 2-[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-oxo-1-benzimidazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxobenzimidazol-1-yl]acetate Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-3-[(7-amidino-2-naphthyl)methyl]-2-keto-benzimidazol-1-yl]acetic acid tert-butyl ester Formula: C32H38N6O4 MolecularWeight: 570.68192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)N3CC(=O)OC(C)(C)C)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)N3CC(=O)OC(C)(C)C)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C32H38N6O4/c1-20(33)36-13-11-25(12-14-36)41-26-9-10-27-28(17-26)38(19-29(39)42-32(2,3)4)31(40)37(27)18-21-5-6-22-7-8-23(30(34)35)16-24(22)15-21/h5-10,15-17,25,33H,11-14,18-19H2,1-4H3,(H3,34,35)