2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-hydroxyethyloxy)-3-prop-2-enyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-hydroxyethyloxy)-3-prop-2-enyl-phenyl]ethanoic acid Openeye Name: 2-[3-allyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl]acetic acid Traditional Name: 2-[3-allyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-amidinoanilino)acetic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO)CC=C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO)CC=C

InChI

InChI=1S/C22H27N3O4/c1-3-5-16-12-14(4-2)13-18(20(16)29-11-10-26)19(22(27)28)25-17-8-6-15(7-9-17)21(23)24/h3,6-9,12-13,19,25-26H,1,4-5,10-11H2,2H3,(H3,23,24)(H,27,28)