ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)amino]propanoate trihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)amino]propanoate trihydrochloride Openeye Name: ethyl 2-[N-[(E)-3-(3-carbamimidoylphenyl)allyl]-4-(4-piperidyloxy)anilino]propanoate trihydrochloride CAS Name: 2-[N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-(4-piperidinyloxy)anilino]propanoic acid ethyl ester trihydrochloride IUPAC Name: ethyl 2-(N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-piperidin-4-yloxyanilino)propanoate trihydrochloride Traditional Name: 2-[N-[(E)-3-(3-amidinophenyl)allyl]-4-(4-piperidyloxy)anilino]propionic acid ethyl ester trihydrochloride Formula: C26H37Cl3N4O3 MolecularWeight: 559.95598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC=C(C=C2)OC3CCNCC3.Cl.Cl.Cl

Isomeric SMILES

CCOC(=O)C(C)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC=C(C=C2)OC3CCNCC3.Cl.Cl.Cl

InChI

InChI=1S/C26H34N4O3.3ClH/c1-3-32-26(31)19(2)30(17-5-7-20-6-4-8-21(18-20)25(27)28)22-9-11-23(12-10-22)33-24-13-15-29-16-14-24;;;/h4-12,18-19,24,29H,3,13-17H2,1-2H3,(H3,27,28);3*1H/b7-5+;;;