tert-butyl 2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-methoxy-2-oxidanylidene-ethyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-methoxy-2-oxidanylidene-ethyl]phenyl]benzoate Openeye Name: tert-butyl 2-[2-[1-(4-carbamimidoylanilino)-2-methoxy-2-oxo-ethyl]phenyl]benzoate CAS Name: 2-[2-[1-(4-carbamimidoylanilino)-2-methoxy-2-oxoethyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[1-(4-carbamimidoylanilino)-2-methoxy-2-oxoethyl]phenyl]benzoate Traditional Name: 2-[2-[1-(4-amidinoanilino)-2-keto-2-methoxy-ethyl]phenyl]benzoic acid tert-butyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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