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

Systemtic Name: ethyl 2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)-4-piperazin-1-yl-piperidin-3-yl]ethanoate Openeye Name: ethyl 2-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-1-(2-ethoxy-2-oxo-ethyl)-4-piperazin-1-yl-3-piperidyl]acetate CAS Name: 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-(2-ethoxy-2-oxoethyl)-4-(1-piperazinyl)-3-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-(2-ethoxy-2-oxoethyl)-4-piperazin-1-ylpiperidin-3-yl]acetate Traditional Name: 2-[4-(2-amidino-4-hydroxy-phenyl)-1-(2-ethoxy-2-keto-ethyl)-4-piperazino-3-piperidyl]acetic acid ethyl ester Formula: C24H37N5O5 MolecularWeight: 475.58108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N5O5/c1-3-33-21(31)13-17-15-28(16-22(32)34-4-2)10-7-24(17,29-11-8-27-9-12-29)20-6-5-18(30)14-19(20)23(25)26/h5-6,14,17,27,30H,3-4,7-13,15-16H2,1-2H3,(H3,25,26)