ethyl 2-[4-[3-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]phenyl]amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]phenyl]amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]-3-oxo-propyl]piperazin-1-yl]acetate CAS Name: 2-[4-[3-[4-[(Z)-amino-[hexoxy(oxo)methyl]iminomethyl]anilino]-3-oxopropyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]-3-oxopropyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[3-[4-[(Z)-N'-hexoxycarbonylamidino]anilino]-3-keto-propyl]piperazino]acetic acid ethyl ester Formula: C25H39N5O5 MolecularWeight: 489.60766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CC(=O)OCC)N

Isomeric SMILES

CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)CC(=O)OCC)\N

InChI

InChI=1S/C25H39N5O5/c1-3-5-6-7-18-35-25(33)28-24(26)20-8-10-21(11-9-20)27-22(31)12-13-29-14-16-30(17-15-29)19-23(32)34-4-2/h8-11H,3-7,12-19H2,1-2H3,(H,27,31)(H2,26,28,33)