pyridin-3-yl 3-(tert-butylcarbamoyl)-6-[(4-carbamimidoylphenyl)carbamoyl]-2-methoxy-benzoate

Systemtic Name: pyridin-3-yl 3-(tert-butylcarbamoyl)-6-[(4-carbamimidoylphenyl)carbamoyl]-2-methoxy-benzoate Openeye Name: 3-pyridyl 3-(tert-butylcarbamoyl)-6-[(4-carbamimidoylphenyl)carbamoyl]-2-methoxy-benzoate CAS Name: 3-[(tert-butylamino)-oxomethyl]-6-[(4-carbamimidoylanilino)-oxomethyl]-2-methoxybenzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3-(tert-butylcarbamoyl)-6-[(4-carbamimidoylphenyl)carbamoyl]-2-methoxybenzoate Traditional Name: 6-[(4-amidinophenyl)carbamoyl]-3-(tert-butylcarbamoyl)-2-methoxy-benzoic acid 3-pyridyl ester Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CN=CC=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CN=CC=C3)OC

InChI

InChI=1S/C26H27N5O5/c1-26(2,3)31-24(33)19-12-11-18(23(32)30-16-9-7-15(8-10-16)22(27)28)20(21(19)35-4)25(34)36-17-6-5-13-29-14-17/h5-14H,1-4H3,(H3,27,28)(H,30,32)(H,31,33)