ethyl 5-[bis[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxy-benzoate

Systemtic Name: ethyl 5-[bis[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxy-benzoate Openeye Name: ethyl 5-[bis[(E)-3-(3-carbamimidoylphenyl)allyl]amino]-2-(4-piperidyloxy)benzoate CAS Name: 5-[bis[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(4-piperidinyloxy)benzoic acid ethyl ester IUPAC Name: ethyl 5-[bis[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxybenzoate Traditional Name: 5-[bis[(E)-3-(3-amidinophenyl)allyl]amino]-2-(4-piperidyloxy)benzoic acid ethyl ester Formula: C34H40N6O3 MolecularWeight: 580.7198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N(CC=CC2=CC(=CC=C2)C(=N)N)CC=CC3=CC(=CC=C3)C(=N)N)OC4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N(C/C=C/C2=CC(=CC=C2)C(=N)N)C/C=C/C3=CC(=CC=C3)C(=N)N)OC4CCNCC4

InChI

InChI=1S/C34H40N6O3/c1-2-42-34(41)30-23-28(13-14-31(30)43-29-15-17-39-18-16-29)40(19-5-9-24-7-3-11-26(21-24)32(35)36)20-6-10-25-8-4-12-27(22-25)33(37)38/h3-14,21-23,29,39H,2,15-20H2,1H3,(H3,35,36)(H3,37,38)/b9-5+,10-6+