tert-butyl 2-[4-[2-(6-carbamimidoylnaphthalen-2-yl)ethyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-(6-carbamimidoylnaphthalen-2-yl)ethyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[2-(6-carbamimidoyl-2-naphthyl)ethyl]phenoxy]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-2-naphthalenyl)ethyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(6-carbamimidoylnaphthalen-2-yl)ethyl]phenoxy]acetate Traditional Name: 2-[4-[2-(6-amidino-2-naphthyl)ethyl]phenoxy]acetic acid tert-butyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)CCC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)CCC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)30-23(28)16-29-22-12-7-17(8-13-22)4-5-18-6-9-20-15-21(24(26)27)11-10-19(20)14-18/h6-15H,4-5,16H2,1-3H3,(H3,26,27)