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

Systemtic Name: ethyl 4-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-4-oxo-butanoate CAS Name: 4-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]amino]-4-keto-butyric acid ethyl ester Formula: C32H37N7O3 MolecularWeight: 567.68128

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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=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCN(CC1)C(=N)C)C2=CC3=C(C=C2)N=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N

InChI

InChI=1S/C32H37N7O3/c1-3-42-31(41)13-12-30(40)39(23-14-16-37(17-15-23)21(2)33)24-9-11-28-29(18-24)38(20-36-28)19-22-8-10-27(32(34)35)26-7-5-4-6-25(22)26/h4-11,18,20,23,33H,3,12-17,19H2,1-2H3,(H3,34,35)