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

Systemtic Name: methyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxy-benzoate Openeye Name: methyl 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]amino]-2-(4-piperidyloxy)benzoate CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(4-piperidinyloxy)benzoic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-piperidin-4-yloxybenzoate Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]amino]-2-(4-piperidyloxy)benzoic acid methyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC=CC2=CC(=CC=C2)C(=N)N)OC3CCNCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC/C=C/C2=CC(=CC=C2)C(=N)N)OC3CCNCC3

InChI

InChI=1S/C23H28N4O3/c1-29-23(28)20-15-18(7-8-21(20)30-19-9-12-26-13-10-19)27-11-3-5-16-4-2-6-17(14-16)22(24)25/h2-8,14-15,19,26-27H,9-13H2,1H3,(H3,24,25)/b5-3+