2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(oxan-4-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(oxan-4-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-tetrahydropyran-4-yloxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(4-oxanyloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(oxan-4-yloxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-tetrahydropyran-4-yloxy-phenyl)acetic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)