ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)-4-piperazin-1-yl-piperidin-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)-4-piperazin-1-yl-piperidin-3-yl]ethanoate Openeye Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxo-ethyl)-4-piperazin-1-yl-3-piperidyl]acetate CAS Name: 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxoethyl)-4-(1-piperazinyl)-3-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-carbamimidoylphenyl)-1-(2-ethoxy-2-oxoethyl)-4-piperazin-1-ylpiperidin-3-yl]acetate Traditional Name: 2-[4-(4-amidinophenyl)-1-(2-ethoxy-2-keto-ethyl)-4-piperazino-3-piperidyl]acetic acid ethyl ester Formula: C24H37N5O4 MolecularWeight: 459.58168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CN(CCC1(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC1CN(CCC1(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)OCC

InChI

InChI=1S/C24H37N5O4/c1-3-32-21(30)15-20-16-28(17-22(31)33-4-2)12-9-24(20,29-13-10-27-11-14-29)19-7-5-18(6-8-19)23(25)26/h5-8,20,27H,3-4,9-17H2,1-2H3,(H3,25,26)