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

Systemtic Name: (phenylmethyl) 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: benzyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxo-ethyl)-5-oxo-pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxoethyl)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[5-keto-4-(2-keto-2-methoxy-ethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoic acid benzyl ester Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(NC1=O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

COC(=O)CC1CC(NC1=O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C29H29N3O6/c1-36-26(33)14-21-13-22(32-28(21)34)17-37-23-11-12-24(25(15-23)27(30)31)19-7-9-20(10-8-19)29(35)38-16-18-5-3-2-4-6-18/h2-12,15,21-22H,13-14,16-17H2,1H3,(H3,30,31)(H,32,34)