2-[(4-carbamimidoylphenyl)amino]-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N3O5/c1-23-12-6-10(7-13-15(12)25-8-24-13)14(17(21)22)20-11-4-2-9(3-5-11)16(18)19/h2-7,14,20H,8H2,1H3,(H3,18,19)(H,21,22)