[4-[3-(diphenylmethyl)oxy-3-oxidanylidene-propyl]-2-methoxy-phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: [4-[3-(diphenylmethyl)oxy-3-oxidanylidene-propyl]-2-methoxy-phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: [4-(3-benzhydryloxy-3-oxo-propyl)-2-methoxy-phenyl] 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid [4-[3-(diphenylmethyl)oxy-3-oxopropyl]-2-methoxyphenyl] ester IUPAC Name: [4-(3-benzhydryloxy-3-oxopropyl)-2-methoxyphenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid [4-(3-benzhydryloxy-3-keto-propyl)-2-methoxy-phenyl] ester Formula: C32H37N3O5 MolecularWeight: 543.65328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4CCN(CC4)C(=N)N

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C32H37N3O5/c1-38-28-22-24(12-15-27(28)39-29(36)16-13-23-18-20-35(21-19-23)32(33)34)14-17-30(37)40-31(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-12,15,22-23,31H,13-14,16-21H2,1H3,(H3,33,34)