2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-oxidanylcyclohexyl)oxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-oxidanylcyclohexyl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclohexoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclohexyl)oxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclohexyl)oxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-hydroxycyclohexoxy)phenyl]acetic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H29N3O5/c1-2-30-17-11-15(12-18(13-17)31-20-6-4-3-5-19(20)27)21(23(28)29)26-16-9-7-14(8-10-16)22(24)25/h7-13,19-21,26-27H,2-6H2,1H3,(H3,24,25)(H,28,29)