5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxy-benzoic acid

Systemtic Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxy-benzoic acid Openeye Name: 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]amino]-2-(4-piperidyloxy)benzoic acid CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(4-piperidinyloxy)benzoic acid IUPAC Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxybenzoic acid Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]amino]-2-(4-piperidyloxy)benzoic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=C(C=C(C=C2)NCC=CC3=CC(=CC=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1OC2=C(C=C(C=C2)NC/C=C/C3=CC(=CC=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H26N4O3/c23-21(24)16-5-1-3-15(13-16)4-2-10-26-17-6-7-20(19(14-17)22(27)28)29-18-8-11-25-12-9-18/h1-7,13-14,18,25-26H,8-12H2,(H3,23,24)(H,27,28)/b4-2+