oxan-4-yl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: oxan-4-yl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: tetrahydropyran-4-yl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid 4-oxanyl ester IUPAC Name: oxan-4-yl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid tetrahydropyran-4-yl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)OC2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)OC2CCOCC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H31N3O4/c27-25(28)21-5-1-19(2-6-21)20-3-7-22(8-4-20)26(31)29-13-9-18(10-14-29)17-24(30)33-23-11-15-32-16-12-23/h1-8,18,23H,9-17H2,(H3,27,28)