tert-butyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-propyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-propyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxy-propyl]phenoxy]acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-hydroxypropyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxypropyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-hydroxy-propyl]phenoxy]acetic acid tert-butyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H29N3O5/c1-23(2,3)31-20(28)14-30-19-10-4-15(5-11-19)12-18(13-27)26-22(29)17-8-6-16(7-9-17)21(24)25/h4-11,18,27H,12-14H2,1-3H3,(H3,24,25)(H,26,29)