2-[(4-carbamimidoylphenyl)amino]-2-(7-methoxy-5-oxidanylidene-2,3-dihydro-1,4-benzodioxepin-9-yl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(7-methoxy-5-oxidanylidene-2,3-dihydro-1,4-benzodioxepin-9-yl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-5-oxo-2,3-dihydro-1,4-benzodioxepin-9-yl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-5-oxo-2,3-dihydro-1,4-benzodioxepin-9-yl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-5-oxo-2,3-dihydro-1,4-benzodioxepin-9-yl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(5-keto-7-methoxy-2,3-dihydro-1,4-benzodioxepin-9-yl)acetic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)OCCO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)OCCO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N3O6/c1-26-12-8-13(16-14(9-12)19(25)28-7-6-27-16)15(18(23)24)22-11-4-2-10(3-5-11)17(20)21/h2-5,8-9,15,22H,6-7H2,1H3,(H3,20,21)(H,23,24)