methoxymethyl 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: methoxymethyl 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: methoxymethyl 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[4-tert-butyl-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid methoxymethyl ester IUPAC Name: methoxymethyl 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-tert-butyl-phenyl]benzoic acid methoxymethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OCOC)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)OCOC)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N3O4/c1-27(2,3)18-11-14-21(20-7-5-6-8-22(20)26(32)34-16-33-4)23(15-18)25(31)30-19-12-9-17(10-13-19)24(28)29/h5-15H,16H2,1-4H3,(H3,28,29)(H,30,31)