2-[4-[2-[(4-carbamimidoylphenyl)amino]-5-ethyl-cyclohexa-1,5-dien-1-yl]oxypiperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)amino]-5-ethyl-cyclohexa-1,5-dien-1-yl]oxypiperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-carbamimidoylanilino)-5-ethyl-cyclohexa-1,5-dien-1-yl]oxy-1-piperidyl]acetic acid CAS Name: 2-[4-[[2-(4-carbamimidoylanilino)-5-ethyl-1-cyclohexa-1,5-dienyl]oxy]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[2-(4-carbamimidoylanilino)-5-ethylcyclohexa-1,5-dien-1-yl]oxypiperidin-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-amidinoanilino)-5-ethyl-cyclohexa-1,5-dien-1-yl]oxypiperidino]acetic acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(CC1)NC2=CC=C(C=C2)C(=N)N)OC3CCN(CC3)CC(=O)O

Isomeric SMILES

CCC1=CC(=C(CC1)NC2=CC=C(C=C2)C(=N)N)OC3CCN(CC3)CC(=O)O

InChI

InChI=1S/C22H30N4O3/c1-2-15-3-8-19(25-17-6-4-16(5-7-17)22(23)24)20(13-15)29-18-9-11-26(12-10-18)14-21(27)28/h4-7,13,18,25H,2-3,8-12,14H2,1H3,(H3,23,24)(H,27,28)