2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetyl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetyl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetyl]oxymethyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H33N3O5/c1-27(2,3)26(33)35-17-34-23(31)16-18-12-14-30(15-13-18)25(32)22-10-6-20(7-11-22)19-4-8-21(9-5-19)24(28)29/h4-11,18H,12-17H2,1-3H3,(H3,28,29)