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

Systemtic Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclopentyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: methyl 4-[2-carbamimidoyl-4-[[4-[2-(cyclopentoxy)-2-oxo-ethyl]-5-oxo-pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[4-(2-cyclopentyloxy-2-oxoethyl)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclopentyloxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[4-[2-(cyclopentoxy)-2-keto-ethyl]-5-keto-pyrrolidin-2-yl]methoxy]phenyl]benzoic acid methyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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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)OC4CCCC4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC4CCCC4)C(=N)N

InChI

InChI=1S/C27H31N3O6/c1-34-27(33)17-8-6-16(7-9-17)22-11-10-21(14-23(22)25(28)29)35-15-19-12-18(26(32)30-19)13-24(31)36-20-4-2-3-5-20/h6-11,14,18-20H,2-5,12-13,15H2,1H3,(H3,28,29)(H,30,32)