1-butoxycarbonyloxyethyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: 1-butoxycarbonyloxyethyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: 1-butoxycarbonyloxyethyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid 1-[butoxy(oxo)methoxy]ethyl ester IUPAC Name: 1-butoxycarbonyloxyethyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid 1-butoxycarbonyloxyethyl ester Formula: C27H33N3O7 MolecularWeight: 511.56682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(C)OC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCOC(=O)OC(C)OC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H33N3O7/c1-3-4-13-34-27(33)37-17(2)36-24(31)15-21-14-22(30-26(21)32)16-35-23-11-9-19(10-12-23)18-5-7-20(8-6-18)25(28)29/h5-12,17,21-22H,3-4,13-16H2,1-2H3,(H3,28,29)(H,30,32)