tert-butyl 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: tert-butyl 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[2-[(3-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(3-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(3-amidinophenyl)carbamoyl]phenyl]benzoic acid tert-butyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-14-7-5-12-19(21)18-11-4-6-13-20(18)23(29)28-17-10-8-9-16(15-17)22(26)27/h4-15H,1-3H3,(H3,26,27)(H,28,29)