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

Systemtic Name: ethyl 4-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)amino]butanoate Openeye Name: ethyl 4-[N-[(E)-3-(3-carbamimidoylphenyl)allyl]-4-(4-piperidyloxy)anilino]butanoate CAS Name: 4-[N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-(4-piperidinyloxy)anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-4-piperidin-4-yloxyanilino)butanoate Traditional Name: 4-[N-[(E)-3-(3-amidinophenyl)allyl]-4-(4-piperidyloxy)anilino]butyric acid ethyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-2-33-26(32)9-5-19-31(18-4-7-21-6-3-8-22(20-21)27(28)29)23-10-12-24(13-11-23)34-25-14-16-30-17-15-25/h3-4,6-8,10-13,20,25,30H,2,5,9,14-19H2,1H3,(H3,28,29)/b7-4+