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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(oxan-4-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethynyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethynyl-5-(4-oxanyloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethynyl-5-(oxan-4-yloxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethynyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C#CC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)