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

Systemtic Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-2-3-16-31-23(29)17-18-12-14-28(15-13-18)25(30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)24(26)27/h4-11,18H,2-3,12-17H2,1H3,(H3,26,27)