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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)amino]ethanoate Openeye Name: ethyl 2-[N-[(E)-3-(3-carbamimidoylphenyl)allyl]-4-(4-piperidyloxy)anilino]acetate CAS Name: 2-[N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-(4-piperidinyloxy)anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-piperidin-4-yloxyanilino)acetate Traditional Name: 2-[N-[(E)-3-(3-amidinophenyl)allyl]-4-(4-piperidyloxy)anilino]acetic acid ethyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-2-31-24(30)18-29(16-4-6-19-5-3-7-20(17-19)25(26)27)21-8-10-22(11-9-21)32-23-12-14-28-15-13-23/h3-11,17,23,28H,2,12-16,18H2,1H3,(H3,26,27)/b6-4+