methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclooctyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate

Systemtic Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclooctyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: methyl 4-[2-carbamimidoyl-4-[[4-[2-(cyclooctoxy)-2-oxo-ethyl]-5-oxo-pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[4-(2-cyclooctyloxy-2-oxoethyl)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclooctyloxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[4-[2-(cyclooctoxy)-2-keto-ethyl]-5-keto-pyrrolidin-2-yl]methoxy]phenyl]benzoic acid methyl ester Formula: C30H37N3O6 MolecularWeight: 535.63128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC4CCCCCCC4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC4CCCCCCC4)C(=N)N

InChI

InChI=1S/C30H37N3O6/c1-37-30(36)20-11-9-19(10-12-20)25-14-13-24(17-26(25)28(31)32)38-18-22-15-21(29(35)33-22)16-27(34)39-23-7-5-3-2-4-6-8-23/h9-14,17,21-23H,2-8,15-16,18H2,1H3,(H3,31,32)(H,33,35)