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

Systemtic Name: ethyl 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-4-oxo-butanoate CAS Name: 4-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]-4-keto-butyric acid ethyl ester Formula: C33H39N7O3 MolecularWeight: 581.70786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1CCN(CC1)C(=N)C)C2=CC3=C(C=C2)N=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCN(CC1)C(=N)C)C2=CC3=C(C=C2)N=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C

InChI

InChI=1S/C33H39N7O3/c1-4-43-32(42)12-11-31(41)40(27-13-15-38(16-14-27)21(2)34)28-9-10-29-30(19-28)39(22(3)37-29)20-23-5-6-24-7-8-25(33(35)36)18-26(24)17-23/h5-10,17-19,27,34H,4,11-16,20H2,1-3H3,(H3,35,36)