2-[(4-carbamimidoylphenyl)amino]-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-5-ethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-5-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-indan-2-yloxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-5-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-5-ethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-indan-2-yloxy-phenyl)acetic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CC3=CC=CC=C3C2)C(C(=O)O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CC3=CC=CC=C3C2)C(C(=O)O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N3O4/c1-2-32-21-13-19(24(26(30)31)29-20-9-7-16(8-10-20)25(27)28)14-23(15-21)33-22-11-17-5-3-4-6-18(17)12-22/h3-10,13-15,22,24,29H,2,11-12H2,1H3,(H3,27,28)(H,30,31)