methyl 2-[4-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylphenoxy]ethanoate

Systemtic Name: methyl 2-[4-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylphenoxy]ethanoate Openeye Name: methyl 2-[4-[1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]phenoxy]acetate CAS Name: 2-[4-[[1-[(4-carbamimidoylphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]phenoxy]acetate Traditional Name: 2-[4-[1-(4-amidinobenzoyl)prolyl]phenoxy]acetic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)C2CCCN2C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)C2CCCN2C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O5/c1-29-19(26)13-30-17-10-8-14(9-11-17)20(27)18-3-2-12-25(18)22(28)16-6-4-15(5-7-16)21(23)24/h4-11,18H,2-3,12-13H2,1H3,(H3,23,24)